SCHEMBL3739346

SCHEMBL3739346

Cc1nc(Oc2ccccc2)sc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TTR P02766 1/20 0.36
PIN1 Q13526 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
PSMD14 O00487 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL21274246 0.84 ALDH1A1 (0.40) KMT2AGAACYP1A2CYP2C19CYP3A4
SCHEMBL29956897 0.81 KMT2A (0.55) LMNATSHRKMT2AGAACYP1A2
SCHEMBL13071992 0.79 PTGDR2 (0.46) LMNAKMT2ASMN1; SMN2TDP1L3MBTL1
SCHEMBL3744273 0.78 SOS1 (0.36) LMNAKMT2AGAAALDH1A1MEN1
SCHEMBL4924536 0.74 SMN1; SMN2 (0.55) TSHRKMT2AGAACYP1A2CYP2C19
SCHEMBL24099568 0.74 MAOA (0.40) LMNAKMT2ACYP1A2CYP2C19TDP1
SCHEMBL11590674 0.72 PTGDR2 (0.51) KMT2AGAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL2554863 0.72 MAPT (0.57) LMNAKMT2AGAACYP1A2CYP2C19
SCHEMBL1960860 0.71 SMN1; SMN2 (0.56) LMNAKMT2AGAASMN1; SMN2L3MBTL1
SCHEMBL13043591 0.71 TDP1 (0.41) LMNATSHRGAACYP1A2CYP2C19

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-7834013-B2 Racemic-(trans)-2-[4-({[3-(phenyloxy)phenyl]methyl}ammonium)phenyl]cyclopropanecarboxylic acid; type II diabetes; G protein-coupled receptor 40 (GPR40) agonists GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
US-7834013-B2 Racemic-(trans)-2-[4-({[3-(phenyloxy)phenyl]methyl}ammonium)phenyl]cyclopropanecarboxylic acid; type II diabetes; G protein-coupled receptor 40 (GPR40) agonists GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
US-7834013-B2 Racemic-(trans)-2-[4-({[3-(phenyloxy)phenyl]methyl}ammonium)phenyl]cyclopropanecarboxylic acid; type II diabetes; G protein-coupled receptor 40 (GPR40) agonists GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 US disclosed
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 US disclosed
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 US disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2005051890-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 SMITHKLINE BEECHAM CORPORATION (US) 2005-06-09 WO disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 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 (1 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-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GPR65, GPR88, GPR84 LMNA 4367/4885TSHR 907/4885KMT2A 3963/4885

“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.