SCHEMBL7239883

SCHEMBL7239883

CSc1nc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c(=O)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.47
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
PTGS1 P23219 4/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
KDM4E B2RXH2 1/20 0.44
CHRNA7 P36544 1/20 0.40
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL6141883 0.92 PTGS2 (0.47) PTGS2CA1CA2PTGS1CA12
SCHEMBL4861850 0.92 PTGS2 (0.47) PTGS2CA1CA2PTGS1CA12
SCHEMBL6141813 0.91 PTGS2 (0.51) PTGS2PTGS1KDM4E
SCHEMBL6141923 0.91 PTGS2 (0.51) PTGS2PTGS1KDM4E
SCHEMBL6141531 0.90 KMT2A (0.48) PTGS2CA1CA2PTGS1CA12
SCHEMBL4857021 0.86 KDM4E (0.48) KDM4E
SCHEMBL4861613 0.86 KDM4E (0.48) KDM4E
SCHEMBL4854733 0.85 KDM4E (0.49) KDM4E
SCHEMBL4864177 0.85 KDM4E (0.49) KDM4E
SCHEMBL4859624 0.82 PTGS2 (0.46) PTGS2PTGS1KDM4E

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-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 US claimed
US-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 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-20030225075-A1 Novel pyrimidone derivatives TPMT, TYMP, TYMS PTGS2 1692/4885CA1 4829/4885CA2 4268/4885

“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.