SCHEMBL6865706

SCHEMBL6865706

O=C(O)c1ccccc1C#Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
FFAR1 O14842 3/20 0.47
TAS2R14 Q9NYV8 6/20 0.45
HNF4A P41235 1/20 0.44
PTPN1 P18031 2/20 0.43
PTPN6 P29350 2/20 0.43
PTPN11 Q06124 2/20 0.43
TRPA1 O75762 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL30607509 0.87 NPC1 (0.67) NPC1RAB9AFFAR1HNF4AKDM4E
SCHEMBL2256468 0.83 NPC1 (0.72) NPC1RAB9AFFAR1HNF4AKDM4E
SCHEMBL29479413 0.83 NPC1 (0.72) NPC1RAB9AFFAR1HNF4AKDM4E
SCHEMBL6866183 0.82 NPC1 (0.57) NPC1RAB9AFFAR1HNF4AALDH1A1
SCHEMBL30460627 0.81 CYP1A1 (0.59) NPC1RAB9AFFAR1TRPA1TRPM8
SCHEMBL28380592 0.81 CYP1A1 (0.59) NPC1RAB9AFFAR1TRPA1TRPM8
SCHEMBL6860168 0.81 PTPN22 (0.51) NPC1RAB9AFFAR1HNF4APTPN1
SCHEMBL69187 0.80 NPC1 (0.59) NPC1RAB9AFFAR1HNF4APTPN11
SCHEMBL69321 0.79 ALDH1A1 (0.62) NPC1RAB9AFFAR1HNF4AKDM4E
SCHEMBL29409566 0.79 ALDH1A1 (0.62) NPC1RAB9AFFAR1HNF4AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812252-B2 ACYLSULFONAMIDE DERIVATIVES CONTAINING FLUOROSUBSTITUTEDPHENYLETHYNYL GROUP HAVING A HYPOGLYCEMIC EFFECT AND FREE OF THE SIDE EFFECT AJINOMOTO CO., INC. (JP) 2004-11-02 US disclosed
US-20030191323-A1 Hypoglycemic agent AJINOMOTO CO., INC. (JP) 2003-10-09 US disclosed
US-20030181764-A1 Acylsulfonamide derivatives AJINOMOTO CO. INC (JP) 2003-09-25 US disclosed
EP-1316548-A1 ACYLSULFONAMIDE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-06-04 EP disclosed
EP-1300142-A1 HYPOGLYCEMICS Ajinomoto Co., Inc. (JP) 2003-04-09 EP 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-20030181764-A1 Acylsulfonamide derivatives DPP4, SLC5A2, GLP1R NPC1 1081/4885RAB9A 3798/4885FFAR1 83/4885
US-20030191323-A1 Hypoglycemic agent GPR119, IAPP, SLC5A2 NPC1 858/4885RAB9A 3298/4885FFAR1 169/4885

“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.