SCHEMBL2541063

SCHEMBL2541063

CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1CCS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 5/20 0.44
GABRB2 P47870 5/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR1 P21554 1/20 0.42
CHRNA7 P36544 1/20 0.41
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL2539520 0.94 CNR1 (0.45) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL2539570 0.83 MAPT (0.43) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL2536778 0.81 CNR1 (0.48) CNR1
SCHEMBL1986082 0.78 MAPT (0.47) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL2539560 0.76 CNR1 (0.60) CNR1
SCHEMBL1986687 0.76 GABRA2 (0.54) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL4513915 0.75 CNR1 (0.44) HSD17B10KDM4ECNR1DPP4
SCHEMBL2543644 0.74 CNR1 (0.46) HSD17B10KDM4ECNR1DPP4
SCHEMBL4513922 0.73 CNR1 (0.38) HSD17B10KDM4ECNR1DPP4
SCHEMBL2535608 0.72 CNR1 (0.62) 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-8044072-B2 Pyrrole derivatives, preparation thereof and therapeutic use thereof SANOFI AVENTIS (FR) 2011-10-25 US disclosed
US-20090281116-A1 PYRROLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-11-12 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-20090281116-A1 PYRROLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT9, PYCR1, EPOR GABRA2 1936/4885GABRB2 1882/4885MAPT 2854/4885

“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.