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SCHEMBL938898

SCHEMBL938898

COc1cc(C)c(S(=O)(=O)N(Cc2nc3cccc(C(=O)O)c3[nH]2)C2CC2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4C Q9H3R0 4/20 0.37
▸ KDM5B Q9UGL1 3/20 0.37
▸ KDM5A P29375 3/20 0.37
▸ ITGA4 P13612 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ AVPR1B P47901 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL937863 0.92 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ALMNAAVPR1B
SCHEMBL941264 0.88 KDM4C (0.41) ALDH1A1KDM4CKDM5BKDM5ALMNA
SCHEMBL11947899 0.82 KDM5B (0.38) ALDH1A1KDM4CKDM5BKDM5ALMNA
SCHEMBL939014 0.82 CYP2D6 (0.44) ALDH1A1TSHRUSP2CYP1A2CYP3A4
SCHEMBL11888800 0.81 BDKRB1 (0.40) KDM4CKDM5BKDM5AKDM4ABDKRB1
SCHEMBL937980 0.80 BDKRB1 (0.38) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL11888787 0.80 BDKRB1 (0.38) ALDH1A1LMNATSHRUSP2KDM4E
SCHEMBL11888809 0.80 BDKRB1 (0.39) KDM4CKDM5BKDM5ABDKRB1
SCHEMBL938394 0.78 NPC1 (0.44) MEN1KMT2AKDM4CKDM5BKDM5A
SCHEMBL941263 0.76 KDM4C (0.39) ALDH1A1MEN1KMT2AKDM4CKDM5B

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
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 — — EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
EP-2440542-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2012-04-18 — — EP disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — US disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 — — 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 (1 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 ALDH1A1 1533/4885MEN1 864/4885KMT2A 3434/4885

“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.