SCHEMBL17891713

SCHEMBL17891713

COc1ccc(Cn2nnc(C(F)(F)F)c2-c2ccnc(C(=O)O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.47
▸ AKR1C3 P42330 6/20 0.45
▸ AKR1C2 P52895 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ TOP2A P11388 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ ERCC5 P28715 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ASPH Q12797 1/20 0.39

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
SCHEMBL30589248 1.00 MMP13 (0.47) MMP13AKR1C3AKR1C2KDM4CKDM5B
SCHEMBL19383313 0.91 AKR1C3 (0.48) MMP13AKR1C3AKR1C2KDM4CKDM5B
SCHEMBL17891695 0.86 KDM4C (0.43) MMP13AKR1C3AKR1C2KDM4CKDM5B
SCHEMBL30589250 0.86 KDM4C (0.43) MMP13AKR1C3AKR1C2KDM4CKDM5B
SCHEMBL30589245 0.84 KDM4C (0.42) MMP13AKR1C3AKR1C2KDM4CKDM5B
SCHEMBL17891747 0.84 MMP13 (0.47) MMP13AKR1C3AKR1C2KDM4CKDM5B
SCHEMBL17891739 0.84 KDM4C (0.42) MMP13AKR1C3AKR1C2KDM4CKDM5B
SCHEMBL27848902 0.78 AKR1C3 (0.55) AKR1C3AKR1C2L3MBTL1ALDH1A1ALOX15
SCHEMBL17898983 0.76 MMP13 (0.46) MMP13AKR1C3AKR1C2TOP2AL3MBTL1
SCHEMBL19383312 0.75 AKR1C3 (0.48) MMP13AKR1C3AKR1C2KDM4CKDM5B

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
EP-3436445-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2023-09-06 — — EP disclosed
EP-3436445-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2019-02-06 — — EP disclosed
US-10174003-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 — — US disclosed
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-03 — — US disclosed
US-9896436-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-20 — — US disclosed
WO-2017161033-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-21 — — WO disclosed
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. 2016-07-07 — — 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-10174003-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM3B MMP13 1320/4885AKR1C3 2994/4885AKR1C2 2396/4885
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B MMP13 1320/4885AKR1C3 2994/4885AKR1C2 2396/4885
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B MMP13 1320/4885AKR1C3 2994/4885AKR1C2 2396/4885

“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.

Send feedback