SCHEMBL5436173

SCHEMBL5436173

COC(=O)c1cc(Br)sc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
REV1 Q9UBZ9 1/20 0.31

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
SCHEMBL5436177 1.00 OPRK1 (0.35) OPRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5728218 0.84 CUL4A (0.33) KMT2A
SCHEMBL5728445 0.83
SCHEMBL15498328 0.83 ALDH1A1 (0.33) OPRK1ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL2157865 0.83 ALDH1A1 (0.33) OPRK1ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL5438427 0.81 PLAT (0.37) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL5438419 0.81 PLAT (0.37) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL5728226 0.81
SCHEMBL5403021 0.80 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL5403025 0.80 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007088148-A1 DERIVATIVES OF THIOPHENE CARBOXILIC ACID AS ANTIVIRAL AGENT SMITHKLINE BEECHAM CORPORATION (US) 2007-08-09 WO disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 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 (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-20070099929-A1 Substituted thiophenes TPMT, HAVCR2, MTAP OPRK1 1928/4885ALDH1A1 1246/4885KDM4E 2012/4885

“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.