SCHEMBL14388646

SCHEMBL14388646

COC(=O)c1cc(-c2ccc(NC(=O)C3SN=NC3C)cc2)c(C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.40
▸ KDR P35968 3/20 0.37
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PTPN1 P18031 6/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KCNK2 O95069 1/20 0.32
▸ KCNK4 Q9NYG8 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL5033826 0.70 OPRD1 (0.44) OPRD1KDRPTPN1RAB9AGAA
SCHEMBL5033859 0.70 LMNA (0.54) OPRD1NPC1RAB9AGAAALDH1A1
SCHEMBL2892068 0.70 IL2 (0.50) KDRRAB9A
SCHEMBL5030793 0.69 LMNA (0.48) OPRD1KDRL3MBTL1
SCHEMBL5027383 0.68 STIM1 (0.60) OPRD1KDRPTPN1NPC1RAB9A
SCHEMBL8234377 0.65 MAPT (0.47) PTPN1RAB9AGAAALDH1A1MAPT
SCHEMBL25352901 0.63 CDK1 (0.40) OPRD1KDRCSNK2A2CSNK2BCSNK2A1
SCHEMBL26983446 0.62 MARK3 (0.44) OPRD1KDRCSNK2A2CSNK2BCSNK2A1
SCHEMBL34470199 0.62 POLQ (0.43) OPRD1KDRPTGS1PTGS2CSNK2A2
SCHEMBL5033848 0.61 IL2 (0.46) NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 — — 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-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 OPRD1 2191/4885KDR 3171/4885PTGS1 290/4885

“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.

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