SCHEMBL13890243

SCHEMBL13890243

CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.49
PTGS1 P23219 2/20 0.46
BRD4 O60885 1/20 0.44
KIF11 P52732 1/20 0.44

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
SCHEMBL14413280 0.90 BRD4 (0.49) PTGS2PTGS1BRD4KIF11
SCHEMBL7946495 0.85 LMNA (0.49) PTGS2BRD4
SCHEMBL13873024 0.84 RORC (0.48) PTGS2PTGS1
SCHEMBL12603833 0.81 PTGS2 (0.47) PTGS2PTGS1BRD4KIF11
SCHEMBL12603775 0.80 AHR (0.50) KIF11
SCHEMBL458111 0.78 ESR2 (0.52) PTGS2
SCHEMBL19323707 0.78 AKR1C2 (0.45)
SCHEMBL13995358 0.77 BRD4 (0.52) PTGS2BRD4
SCHEMBL904087 0.77 ESR2 (0.56) PTGS2PTGS1
SCHEMBL8055957 0.77 PTGS2 (0.77) PTGS2PTGS1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 PTGS2 85/4885PTGS1 59/4885BRD4 3793/4885

“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.