SCHEMBL1258893

SCHEMBL1258893

COc1ccc(-c2c(-c3ccc(Cl)cc3Cl)cc(C(=O)O)n2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.52
PTPN1 P18031 1/20 0.47
CCR2 P41597 1/20 0.47
CNR1 P21554 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GABRA2 P47869 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43

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
SCHEMBL1260378 0.90 CNR1 (0.49) MARS1CNR1SRD5A2MEN1KMT2A
SCHEMBL2570109 0.86 ESR1 (0.51) MARS1CNR1SMN1; SMN2MAPTSRD5A2
SCHEMBL1986687 0.85 GABRA2 (0.54) MARS1PTPN1CNR1SMN1; SMN2MAPT
SCHEMBL1985672 0.84 PRKAB2 (0.47) MARS1CNR1PRKAB2PRKAG1PRKAA2
SCHEMBL1260985 0.81 CNR1 (0.59) CNR1
SCHEMBL2906434 0.78 HSD11B1 (0.47) CNR1
SCHEMBL1260411 0.78 CNR1 (0.43) CCR2CNR1KMT2A
SCHEMBL2159048 0.74 OPRD1 (0.59) MARS1PTPN1CNR1SMN1; SMN2MAPT
SCHEMBL1259826 0.73 CYP2C9 (0.42) CNR1CYP2C9
SCHEMBL1986082 0.73 MAPT (0.47) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879902-B2 Psychological disorders; eating disorders; metabolism disorders; cognition activators; alcoholism; drug abruse thereapy SANOFI-AVENTIS (FR) 2011-02-01 US disclosed
US-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-14 US disclosed
US-7381727-B2 Pyrrole derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2008-06-03 US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 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 (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-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF PYCR1, FARS2, WEE1 MARS1 1383/4885PTPN1 3521/4885CCR2 1730/4885
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PYCR1, PRMT9, PRLHR MARS1 2294/4885PTPN1 2069/4885CCR2 576/4885

“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.