SCHEMBL2818397

SCHEMBL2818397

Cc1nc(/C=C(/F)C=O)co1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30

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
SCHEMBL2818400 1.00 HDAC3 (0.37) HDAC3ENPP3ENPP1
SCHEMBL2818395 1.00 HDAC3 (0.37) HDAC3ENPP3ENPP1
SCHEMBL2167997 0.80 HDAC3 (0.38) HDAC3ENPP3ENPP1
SCHEMBL2168005 0.80 HDAC3 (0.38) HDAC3ENPP3ENPP1
SCHEMBL231196 0.74
SCHEMBL4141187 0.73 HDAC3 (0.37) HDAC3ENPP3ENPP1
SCHEMBL2818539 0.71 MEN1 (0.37) HDAC3
SCHEMBL2818543 0.71 MEN1 (0.37) HDAC3
SCHEMBL29208074 0.69
SCHEMBL14620132 0.68 HDAC3 (0.33) HDAC3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7125893-B1 6-alkenyl-, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations SCHERING AG (DE) 2006-10-24 US disclosed
US-20060046997-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) 2006-03-02 US disclosed
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 disclosed
EP-1173441-A1 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-23 EP disclosed
WO-2000066589-A1 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-09 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 (3 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-20060046997-A1 6-Alkenyl -, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations TUBB6, CCNB1, TUBB HDAC3 3941/4885ENPP3 1930/4885ENPP1 1840/4885
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 HDAC3 3941/4885ENPP3 1930/4885ENPP1 1840/4885
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 HDAC3 3952/4885ENPP3 1961/4885ENPP1 1884/4885

“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.