SCHEMBL1985672

SCHEMBL1985672

Cn1c(C(=O)O)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 5/20 0.47
PRKAG1 P54619 5/20 0.47
PRKAA2 P54646 5/20 0.47
PRKAA1 Q13131 5/20 0.47
PRKAG3 Q9UGI9 5/20 0.47
PRKAG2 Q9UGJ0 5/20 0.47
PRKAB1 Q9Y478 5/20 0.47
MARS1 P56192 5/20 0.42
CNR1 P21554 3/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SRD5A2 P31213 2/20 0.40

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
SCHEMBL14713225 0.88 CNR1 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1258893 0.84 MARS1 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1260378 0.84 CNR1 (0.49) MARS1CNR1SRD5A2
SCHEMBL2570109 0.81 ESR1 (0.51) MARS1CNR1SRD5A2
SCHEMBL1127599 0.79 CNR1 (0.49) CNR1
SCHEMBL2567965 0.77 CNR1 (0.53) CNR1
SCHEMBL1990424 0.75 CNR1 (0.51) CNR1
SCHEMBL1983795 0.74 CNR1 (0.46) CNR1
SCHEMBL1986687 0.73 GABRA2 (0.54) MARS1CNR1
SCHEMBL1260411 0.73 CNR1 (0.43) CNR1

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-8383666-B2 Pyrrole derivatives, preparation of same and therapeutic application thereof SANOFI (FR) 2013-02-26 US disclosed
US-20110144157-A1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-16 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-20110144157-A1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF ARG2, PYCR1, ARG1 PRKAB2 3197/4885PRKAG1 4110/4885PRKAA2 4081/4885

“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.