SCHEMBL4854822

SCHEMBL4854822

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

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PTGS2 P35354 10/20 0.42
PTGS1 P23219 2/20 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
SCHEMBL4859624 0.90 PTGS2 (0.46) KDM4EALDH1A1PTGS2PTGS1
SCHEMBL6141923 0.88 PTGS2 (0.51) KDM4EPTGS2PTGS1
SCHEMBL6141813 0.88 PTGS2 (0.51) KDM4EPTGS2PTGS1
SCHEMBL4853028 0.88 KDM4E (0.50) KDM4EALDH1A1
SCHEMBL4864987 0.86 KDM4E (0.51) KDM4EALDH1A1
SCHEMBL4855004 0.86 PTGS2 (0.41) KDM4EALDH1A1PTGS2PTGS1
SCHEMBL6141883 0.81 PTGS2 (0.47) KDM4EALDH1A1PTGS2PTGS1
SCHEMBL4861850 0.81 PTGS2 (0.47) KDM4EALDH1A1PTGS2PTGS1
SCHEMBL7239883 0.79 PTGS2 (0.47) KDM4EPTGS2PTGS1
SCHEMBL6141531 0.78 KMT2A (0.48) KDM4EALDH1A1PTGS2PTGS1

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 KDM4E 4161/4885ALDH1A1 272/4885PTGS2 1957/4885

“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.