SCHEMBL17669447

SCHEMBL17669447

Cc1cc(S(C)(=O)=O)ccc1-c1csc2ccc(C=O)cc12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.45
CYP2A6 P11509 3/20 0.33
PTGS2 P35354 2/20 0.31
RORC P51449 1/20 0.31
PTGER2 P43116 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH1A3 P47895 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
SCHEMBL17669319 0.90 FFAR1 (0.44) FFAR1CYP2A6PTGS2PTGER2
SCHEMBL17669485 0.79 FFAR1 (0.55) FFAR1PTGS2
SCHEMBL17669303 0.79 FFAR1 (0.46) FFAR1CYP2A6PTGS2
SCHEMBL21967760 0.76 FFAR1 (0.36) FFAR1CYP2A6
SCHEMBL17669307 0.73 FFAR1 (0.53) FFAR1
SCHEMBL6974981 0.73 CYP2A6 (0.55) CYP2A6PTGS2ALDH1A1ALDH1A3
SCHEMBL17669294 0.70 CYP2A6 (0.42) FFAR1CYP2A6ALDH1A1ALDH1A3
SCHEMBL17669617 0.70 FFAR1 (0.54) FFAR1
SCHEMBL19462184 0.69 FFAR1 (0.41) FFAR1
SCHEMBL17669626 0.69 FFAR1 (0.54) FFAR1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2020-05-26 US disclosed
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations JANSSEN PHARMACEUTICA NV (BE) 2019-02-05 US disclosed
US-10131648-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-11-20 US disclosed
US-10106553-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-10-23 US disclosed
US-20170362196-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 US disclosed
WO-2017180571-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 WO disclosed
WO-2017180457-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 WO disclosed
US-9790198-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2017-10-17 US disclosed
US-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 US disclosed
US-20170291908-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 US disclosed
EP-3204361-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES Janssen Pharmaceutica N.V. (BE) 2017-08-16 EP disclosed
WO-2016057731-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-04-14 WO disclosed
US-20160102071-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-04-14 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 (8 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-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS GPR119, GLP1R, GPR65 FFAR1 33/4885CYP2A6 1416/4885PTGS2 2327/4885
US-20170291908-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 FFAR1 11/4885CYP2A6 1893/4885PTGS2 1496/4885
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations GPR119, GLP1R, GPR65 FFAR1 33/4885CYP2A6 1416/4885PTGS2 2327/4885
US-20170362196-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR52, GPR65 FFAR1 17/4885CYP2A6 1320/4885PTGS2 1126/4885
US-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR52, GPR65 FFAR1 17/4885CYP2A6 1320/4885PTGS2 1126/4885
US-10106553-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR52 FFAR1 11/4885CYP2A6 1893/4885PTGS2 1496/4885
US-10131648-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR52, GPR65 FFAR1 17/4885CYP2A6 1320/4885PTGS2 1126/4885
US-20160102071-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR52, GPR65 FFAR1 17/4885CYP2A6 1320/4885PTGS2 1126/4885

“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.