SCHEMBL18482201

SCHEMBL18482201

Cc1cc(C)cc(OCCCS(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 1/20 0.43
FFAR1 O14842 6/20 0.41
F2 P00734 5/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PDIA6 Q15084 1/20 0.38

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
SCHEMBL18481795 0.90 ALDH1A1 (0.44) TP53ALOX15ALDH1A1F2KDM4E
SCHEMBL18471244 0.83 FFAR1 (0.45) FFAR1PDIA6
SCHEMBL15480487 0.83 ALOX15 (0.50) TP53ALOX15ALDH1A1F2KDM4E
SCHEMBL15672741 0.82 DRD2 (0.53) ALDH1A1FFAR1KDM4EMAPT
SCHEMBL13519133 0.81 FFAR1 (0.39) FFAR1PDIA6
SCHEMBL13518802 0.81 FFAR1 (0.44) FFAR1PDIA6
SCHEMBL18518617 0.81 PDIA6 (0.46) FFAR1PDIA6
SCHEMBL15782894 0.81 DRD2 (0.52) ALDH1A1
SCHEMBL13518964 0.80 ALDH1A1 (0.46) ALDH1A1FFAR1MAPTPDIA6
SCHEMBL13518803 0.80 FFAR1 (0.46) FFAR1PDIA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241521-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-08 US disclosed
US-9617251-B2 Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-11 US disclosed
US-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-09 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-20190241521-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 TP53 4528/4885ALOX15 744/4885ALDH1A1 1647/4885
US-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR55, GPR65 TP53 3987/4885ALOX15 790/4885ALDH1A1 1240/4885

“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.