SCHEMBL4861826

SCHEMBL4861826

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 6/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 5/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
PTGS2 P35354 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL4855004 0.92 PTGS2 (0.41) HSD17B10USP2L3MBTL1PTPN1KDM4E
SCHEMBL2949905 0.87 KDM4E (0.41) HSD17B10USP2L3MBTL1KDM4EALDH1A1
SCHEMBL4862273 0.86 ALDH1A1 (0.52) HSD17B10USP2L3MBTL1KDM4EALDH1A1
SCHEMBL4854799 0.86 PTPN1 (0.41) HSD17B10USP2L3MBTL1PTPN1KDM4E
SCHEMBL4855877 0.83 PTPN1 (0.39) HSD17B10USP2L3MBTL1PTPN1KDM4E
SCHEMBL4853092 0.83 ALDH1A1 (0.41) HSD17B10USP2L3MBTL1PTPN1KDM4E
SCHEMBL4862336 0.82 PTPN1 (0.42) HSD17B10USP2L3MBTL1PTPN1KDM4E
SCHEMBL4859624 0.81 PTGS2 (0.46) KDM4EALDH1A1RXFP1KMT2AMEN1
SCHEMBL6141883 0.80 PTGS2 (0.47) KDM4EALDH1A1RXFP1KMT2AMEN1
SCHEMBL4861850 0.80 PTGS2 (0.47) KDM4EALDH1A1RXFP1KMT2AMEN1

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 HSD17B10 3028/4885USP2 4392/4885L3MBTL1 4805/4885

“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.