SCHEMBL2158607

SCHEMBL2158607

COC(=O)c1cc(-c2ccc(OCCCO)cc2)c(-c2ccc(F)cc2Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.51
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PRKAB2 O43741 4/20 0.43
PRKAG1 P54619 4/20 0.43
PRKAA2 P54646 4/20 0.43
PRKAA1 Q13131 4/20 0.43
PRKAG3 Q9UGI9 4/20 0.43
PRKAG2 Q9UGJ0 4/20 0.43
PRKAB1 Q9Y478 4/20 0.43
MAPK14 Q16539 5/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 3/20 0.40
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 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
SCHEMBL1848319 0.91 PRKAB2 (0.50) OPRD1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2159734 0.91 OPRD1 (0.47) OPRD1PTGS1PTGS2PRKAB2PRKAG1
SCHEMBL2158949 0.89 PTGS1 (0.48) OPRD1PTGS1PTGS2PRKAB2PRKAG1
SCHEMBL2158540 0.87 OPRD1 (0.67) OPRD1PTGS1PTGS2PRKAB2PRKAG1
SCHEMBL2158887 0.84 PTGS1 (0.55) OPRD1PTGS1PTGS2MAPK14KDM4E
SCHEMBL2158549 0.82 MEN1 (0.44) OPRD1PTGS1PTGS2PRKAB2PRKAG1
SCHEMBL1849260 0.82 MAPK14 (0.43) OPRD1PTGS1PTGS2PRKAB2PRKAG1
SCHEMBL2158460 0.82 MAPK14 (0.42) OPRD1PTGS1PTGS2PRKAB2PRKAG1
SCHEMBL15063039 0.81 MAPK14 (0.41) OPRD1PTGS1PTGS2PRKAB2PRKAG1
SCHEMBL1848218 0.80 OPRD1 (0.55) OPRD1PTGS1PTGS2PRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410137-B2 Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 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 (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-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NR3C2, NR1H3, NR1H2 OPRD1 45/4885PTGS1 1510/4885PTGS2 1277/4885

“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.