SCHEMBL4178886

SCHEMBL4178886

COCc1csc(CC(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.47
RPS6KB2 Q9UBS0 1/20 0.44
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
GFER P55789 1/20 0.37
SLC7A5 Q01650 1/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KAT2B Q92831 1/20 0.33
ACACA Q13085 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
SCHEMBL4163211 0.83 RPS6KB2 (0.44) HSP90AB1RPS6KB2CYP4F2CYP4A11ALDH1A1
SCHEMBL8139675 0.81 HSP90AB1 (0.52) HSP90AB1RPS6KB2CYP4F2CYP4A11ALDH1A1
SCHEMBL4168656 0.80 RPS6KB2 (0.41) HSP90AB1RPS6KB2CYP4F2CYP4A11ALDH1A1
SCHEMBL27351557 0.79 HSP90AB1 (0.50) HSP90AB1RPS6KB2CYP4F2CYP4A11ALDH1A1
SCHEMBL10688313 0.78 RPS6KB2 (0.49) HSP90AB1RPS6KB2ALDH1A1SLC7A5LMNA
SCHEMBL1551334 0.77 HSP90AB1 (0.43) HSP90AB1RPS6KB2CYP4F2CYP4A11ALDH1A1
SCHEMBL2332944 0.77 HSP90AB1 (0.43) HSP90AB1RPS6KB2CYP4F2CYP4A11ALDH1A1
Hydrochloric Acid SCHEMBL27660641 0.76 HSP90AB1 (0.42) HSP90AB1RPS6KB2CYP4F2CYP4A11ALDH1A1
SCHEMBL27660644 0.76 HSP90AB1 (0.42) HSP90AB1RPS6KB2CYP4F2CYP4A11ALDH1A1
SCHEMBL13185510 0.75 GSK3B (0.44) HSP90AB1RPS6KB2CYP4F2CYP4A11ALDH1A1

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
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
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 HSP90AB1 3004/4885RPS6KB2 1249/4885CYP4F2 815/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC HSP90AB1 2919/4885RPS6KB2 1628/4885CYP4F2 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.