SCHEMBL4855004

SCHEMBL4855004

CSc1nc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(C)c(C)c2)c(=O)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.41
PTGS1 P23219 3/20 0.41
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4861826 0.92 HSD17B10 (0.41) PTGS2PTPN1KDM4EUSP2HSD17B10
SCHEMBL4859624 0.89 PTGS2 (0.46) PTGS2PTGS1KDM4EALDH1A1RXFP1
SCHEMBL6141813 0.88 PTGS2 (0.51) PTGS2PTGS1KDM4E
SCHEMBL6141923 0.88 PTGS2 (0.51) PTGS2PTGS1KDM4E
SCHEMBL2949905 0.87 KDM4E (0.41) KDM4EUSP2HSD17B10L3MBTL1ALDH1A1
SCHEMBL4862252 0.86 PTGS2 (0.42) PTGS2PTGS1PTPN1USP2HSD17B10
SCHEMBL4862273 0.86 ALDH1A1 (0.52) KDM4EUSP2HSD17B10L3MBTL1ALDH1A1
SCHEMBL4854822 0.86 KDM4E (0.47) PTGS2PTGS1KDM4EALDH1A1
SCHEMBL4854799 0.86 PTPN1 (0.41) PTGS2PTGS1PTPN1KDM4EUSP2
SCHEMBL4855877 0.83 PTPN1 (0.39) PTGS2PTGS1PTPN1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US claimed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US claimed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP PTGS2 1957/4885PTGS1 1116/4885PTPN1 1393/4885

“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.