SCHEMBL4168656

SCHEMBL4168656

COC(=O)Cc1cc(CC#N)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.41
HSP90AB1 P08238 1/20 0.40
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 5/20 0.35
GAA P10253 2/20 0.35
GFER P55789 1/20 0.35
SLC7A5 Q01650 1/20 0.34
MAPT P10636 5/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4178886 0.80 HSP90AB1 (0.47) RPS6KB2HSP90AB1CYP4F2CYP4A11ALDH1A1
SCHEMBL4163211 0.80 RPS6KB2 (0.44) RPS6KB2HSP90AB1CYP4F2CYP4A11ALDH1A1
SCHEMBL14115640 0.77 HSP90AB1 (0.56) RPS6KB2HSP90AB1CYP4F2CYP4A11ALDH1A1
SCHEMBL4208760 0.75 MAPT (0.42) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL10688313 0.75 RPS6KB2 (0.49) RPS6KB2HSP90AB1ALDH1A1SLC7A5MAPT
SCHEMBL3670247 0.74 KDM4E (0.35) KDM4ETDP1
SCHEMBL8139675 0.74 HSP90AB1 (0.52) RPS6KB2HSP90AB1CYP4F2CYP4A11ALDH1A1
SCHEMBL2332944 0.74 HSP90AB1 (0.43) RPS6KB2HSP90AB1CYP4F2CYP4A11ALDH1A1
SCHEMBL1551334 0.74 HSP90AB1 (0.43) RPS6KB2HSP90AB1CYP4F2CYP4A11ALDH1A1
SCHEMBL5844094 0.74 CYP4F2 (0.58) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA

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-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
EP-1444228-B1 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS INST FOR PHARM DISCOVERY INC (US) 2008-05-21 EP disclosed
EP-1444228-B1 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS INST FOR PHARM DISCOVERY INC (US) 2008-05-21 EP disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
EP-1444228-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2004-08-11 EP disclosed
US-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 US disclosed
WO-2003044015-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2003-05-30 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 (2 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-20090163535-A1 Substituted Heteroarylalkanoic Acids GPR119, LIPA, LIPC RPS6KB2 1249/4885HSP90AB1 3004/4885CYP4F2 815/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC RPS6KB2 1628/4885HSP90AB1 2919/4885CYP4F2 844/4885

“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.