SCHEMBL4164161

SCHEMBL4164161

CCCc1nc(CCC)c(C(=O)OC)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
KDM4E B2RXH2 6/20 0.40
HSD17B10 Q99714 2/20 0.39
RXFP1 Q9HBX9 2/20 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
SCHEMBL4164158 0.93 HSP90AA1 (0.45) HSP90AA1KDM4EHSD17B10RXFP1ALDH1A1
SCHEMBL28166140 0.88 HSD17B10 (0.40) HSP90AA1GABRPGABRDGABRA1GABRB1
SCHEMBL4184727 0.87 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16616378 0.84 HSP90AA1 (0.41) HSP90AA1KDM4EHSD17B10RXFP1ALDH1A1
SCHEMBL16616389 0.83 SMN1; SMN2 (0.42) HSP90AA1KDM4EHSD17B10RXFP1ALDH1A1
SCHEMBL28848476 0.79 CNR1 (0.49) KDM4EPLA2G2AHPGDPPARG
SCHEMBL4184724 0.79 NPC1 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16616440 0.78 GABRP (0.44) HSP90AA1GABRPGABRDGABRA1GABRB1
SCHEMBL16616317 0.77 KEAP1 (0.47) HSP90AA1GABRPGABRDGABRA1GABRB1
SCHEMBL16616554 0.76 CNR1 (0.51) HSP90AA1KDM4EHSD17B10MAPK1SMN1; SMN2

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
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-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 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 (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 HSP90AA1 2539/4885GABRP 580/4885GABRD 103/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC HSP90AA1 2433/4885GABRP 422/4885GABRD 40/4885

“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.