SCHEMBL2817345

SCHEMBL2817345

C=CCCC(=O)C(C)(C)[C@@H]1CCOC(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.34
PTPN1 P18031 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7105803 0.92 PTPN1 (0.31) LSSPTPN1
SCHEMBL7107555 0.86
SCHEMBL7107558 0.86
SCHEMBL7111574 0.86 PTPN1 (0.33) PTPN1
SCHEMBL7107520 0.86 PTPN1 (0.30) PTPN1
SCHEMBL7108886 0.85
SCHEMBL3867018 0.83
SCHEMBL4197056 0.83
SCHEMBL2384111 0.81 FAAH (0.31)
SCHEMBL2384117 0.81 FAAH (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645891-B2 E.g., 4-(2-methyl-3-oxo-hept-6-en-2-yl)-2,2-dimethyl-[1,3]-dioxane chemical intermediate; chemical/metabolic stabilization of microtubuli; antitumor, -carcinogenic agents; malignant melanoma, acute lymphocytic/myelocytic leukemia; angiogenesis inhibitors; antiinflammatory/-arthritic agents; psoriasis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-12 US claimed
US-20050113429-A1 6-Alkenyl-, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-05-26 US claimed
US-20030176710-A1 C1-C6-epothilone fragments and process for the production of C1-C6-fragments of epothilones and derivatives thereof SCHERING AG (DE) 2003-09-18 US claimed
WO-2003053949-A1 C1-C6 FRAGMENTS OF EPOTHILONES AND METHOD FOR PRODUCING SUCH FRAGMENTS AND THE DERIVATIVES THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-03 WO claimed
US-20100168179-A1 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS KLAR ULRICH 2010-07-01 US disclosed
US-7700621-B2 E.g., 4-(2-methyl-3-oxo-hept-6-en-2-yl)-2,2-dimethyl-[1,3]-dioxane chemical intermediate; chemical/metabolic stabilization of microtubuli; antitumor, -carcinogenic agents; malignant melanoma, acute lymphocytic/myelocytic leukemia; angiogenesis inhibitors; antiinflammatory/-arthritic agents; psoriasis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 US disclosed
US-7645891-B2 E.g., 4-(2-methyl-3-oxo-hept-6-en-2-yl)-2,2-dimethyl-[1,3]-dioxane chemical intermediate; chemical/metabolic stabilization of microtubuli; antitumor, -carcinogenic agents; malignant melanoma, acute lymphocytic/myelocytic leukemia; angiogenesis inhibitors; antiinflammatory/-arthritic agents; psoriasis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-12 US disclosed
EP-1412323-B1 PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2009-09-30 EP disclosed
US-7595418-B2 Protected 5,7-dihydroxy-4,4-dimethyl-3-oxoheptanoic acid esters and 5,7-dihydroxy-2-alkyl-4,4-dimethyl-3-oxoheptanoci acid esters for the synthesizing of epothilone and epothilone derivatives and process for the production of these esters BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-09-29 US disclosed
EP-1173441-B1 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS BAYER SCHERING PHARMA AG (DE) 2009-08-26 EP disclosed
US-20080161580-A1 PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND PROCESS FOR THE PRODUCTION AND THE USE WESTERMANN JURGEN 2008-07-03 US disclosed
US-7368568-B2 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for production and the use BAYER SCHERING PHARMA AG (DE) 2008-05-06 US disclosed
WO-2005003071-A1 METHOD FOR PRODUCING C1-C15 FRAGMENTS OF EPOTHILONES AND THE DERIVATIVES THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 WO disclosed
WO-2004108697-A1 PROTECTED 5,7-DIHYDROXY-4,4-DIMETHYL-3-OXOHEPTANOIC ACID ESTERS AND 5,7-DIHYDROXY-2-ALKYL-4,4-DIMETHYL-3-OXOHEPTANOIC ACID ESTERS FOR SYNTHESIZING EPOTHILONES AND DERIVATIVES DERIVATIVES, AND METHODS FOR PRODUCING THESE ESTERS SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-16 WO disclosed
EP-1412323-A1 PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
US-20030176710-A1 C1-C6-epothilone fragments and process for the production of C1-C6-fragments of epothilones and derivatives thereof SCHERING AG (DE) 2003-09-18 US disclosed
US-20030158412-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 US disclosed
US-20030149281-A1 Protected 3,-5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production SCHERING AG (DE) 2003-08-07 US disclosed
WO-2003053949-A1 C1-C6 FRAGMENTS OF EPOTHILONES AND METHOD FOR PRODUCING SUCH FRAGMENTS AND THE DERIVATIVES THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-03 WO disclosed
WO-2003014068-A1 PROTECTED 3.5-DIHYDROXY-2.2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2003-02-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080161580-A1 PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND PROCESS FOR THE PRODUCTION AND THE USE DHPS, VARS1, CYP51A1 LSS 33/4885PTPN1 4850/4885
US-20100168179-A1 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS TUBB6, CCNB1, TUBB LSS 1765/4885PTPN1 2857/4885
US-20030176710-A1 C1-C6-epothilone fragments and process for the production of C1-C6-fragments of epothilones and derivatives thereof CYC1, DHPS, C1S LSS 473/4885PTPN1 4452/4885
US-20030158412-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use DHPS, VARS1, CYP51A1 LSS 33/4885PTPN1 4850/4885
US-20030149281-A1 Protected 3,-5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production DHPS, VARS1, CYP51A1 LSS 51/4885PTPN1 4705/4885
US-20050113429-A1 6-Alkenyl-, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations TUBB6, CCNB1, TUBB LSS 1805/4885PTPN1 2824/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.