SCHEMBL4140940

SCHEMBL4140940

Cc1c(C(=O)O)ccc(-c2ccc(S(N)(=O)=O)cc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 16/20 0.51
CA2 P00918 15/20 0.51
CA1 P00915 14/20 0.51
CA12 O43570 13/20 0.51
CA14 Q9ULX7 8/20 0.51
CA5A P35218 3/20 0.47
CA5B Q9Y2D0 3/20 0.47
CA3 P07451 2/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
CA4 P22748 1/20 0.44
IKBKB O14920 2/20 0.44
CHUK O15111 2/20 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
SCHEMBL4135236 0.82 IKBKB (0.51) CA9CA2CA1CA12IKBKB
SCHEMBL27547124 0.80 KDM4E (0.43) CA9CA12CYP2C19PTGS2
SCHEMBL842987 0.78 FOLH1 (0.49)
SCHEMBL6974190 0.78 ALDH1A1 (0.49)
SCHEMBL6978903 0.76 CA2 (0.65) CA9CA2CA1CA12CA14
SCHEMBL843489 0.75 CYP1A2 (0.48)
SCHEMBL4638012 0.74 TSHR (0.36)
P-Toluenesulfonamide SCHEMBL28172170 0.74 CA1 (0.60) CA9CA2CA1CA12CA14
SCHEMBL28092791 0.74 PTGS2 (0.47) PTGS2
SCHEMBL28503156 0.72 EGFR (0.52) CA9CA2CA1CA12CA14

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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 CA9 4855/4885CA2 4597/4885CA1 4884/4885

“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.