SCHEMBL2818353

SCHEMBL2818353

Cc1nc2cc([C@@H](O)CC(=O)N3C(=O)O[C@H](c4ccccc4)[C@@H]3C)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 1/20 0.34
IDH1 O75874 2/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL2982078 0.85 EPHX2 (0.35) EPHX2RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2817344 0.85 EPHX2 (0.35) EPHX2RAB9ANPC1SMN1; SMN2TP53
SCHEMBL12600040 0.83 NPC1 (0.41) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL9445699 0.74 IDH1 (0.41) IDH1
SCHEMBL4802224 0.73 IDH1 (0.39) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL5546132 0.71 CACNA2D1 (0.44) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL3160859 0.71 CACNA2D1 (0.44) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL5546137 0.71 CACNA2D1 (0.44) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4194714 0.70 TDP1 (0.40) SMN1; SMN2IDH1
SCHEMBL4194718 0.70 TDP1 (0.40) SMN1; SMN2IDH1

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 7 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

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 EPHX2 537/4885RAB9A 2512/4885NPC1 4480/4885
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 EPHX2 537/4885RAB9A 2512/4885NPC1 4480/4885
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 EPHX2 562/4885RAB9A 2480/4885NPC1 4483/4885

“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.