SCHEMBL2536778

SCHEMBL2536778

CS(=O)(=O)CCCn1c(C(=O)O)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
SRD5A2 P31213 1/20 0.39
MARS1 P56192 4/20 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 0.88 CNR1 (0.45) CNR1
SCHEMBL2535608 0.86 CNR1 (0.62) CNR1
SCHEMBL2535613 0.82 CNR1 (0.44) CNR1SRD5A2MARS1
SCHEMBL2541063 0.81 GABRA2 (0.44) CNR1
SCHEMBL2535616 0.79 CNR1 (0.37) CNR1SRD5A2MARS1
SCHEMBL1260378 0.78 CNR1 (0.49) CNR1SRD5A2MARS1
SCHEMBL2333021 0.78 CNR1 (0.72) CNR1
SCHEMBL2539560 0.77 CNR1 (0.60) CNR1
SCHEMBL2535011 0.77 CNR1 (0.82) CNR1
SCHEMBL23301686 0.75 CCR2 (0.55)

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 CNR1 177/4885SRD5A2 1557/4885MARS1 1784/4885

“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.