SCHEMBL4859624

SCHEMBL4859624

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
PTGS1 P23219 4/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6141813 0.92 PTGS2 (0.51) PTGS2PTGS1KDM4E
SCHEMBL6141923 0.92 PTGS2 (0.51) PTGS2PTGS1KDM4E
SCHEMBL6141883 0.90 PTGS2 (0.47) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL4861850 0.90 PTGS2 (0.47) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL4854822 0.90 KDM4E (0.47) PTGS2PTGS1KDM4EALDH1A1
SCHEMBL4855004 0.89 PTGS2 (0.41) PTGS2PTGS1KDM4EALDH1A1MEN1
SCHEMBL2951048 0.86 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL4855936 0.86 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL7246883 0.85 PTGS2 (0.49) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL4854652 0.85 LMNA (0.47) KDM4EALDH1A1HPGDMEN1GAA

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 10 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
EP-1492774-A2 PYRIMIDONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-01-05 EP claimed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US claimed
US-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 US claimed
WO-2003084938-A2 PYRIMIDONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATIN AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 WO claimed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
EP-1492774-A2 PYRIMIDONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-01-05 EP disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US disclosed
US-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 US disclosed
WO-2003084938-A2 PYRIMIDONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATIN AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 WO 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 (2 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 1692/4885PTGS1 1288/4885KDM4E 4265/4885
US-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP PTGS2 1957/4885PTGS1 1116/4885KDM4E 4161/4885

“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.