SCHEMBL5027383

SCHEMBL5027383

COC(=O)c1cc(-c2ccc(NC(=O)c3ccncc3F)cc2)c(C)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.60
▸ ORAI1 Q96D31 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 1/20 0.47
▸ KDR P35968 1/20 0.44
▸ TRPC1 P48995 1/20 0.43
▸ TRPC3 Q13507 1/20 0.43
▸ CRACR2A Q9BSW2 2/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ IKBKE Q14164 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ MAPK14 Q16539 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL5030793 0.90 LMNA (0.48) STIM1ORAI1L3MBTL1LMNAKDR
SCHEMBL4768116 0.80 STIM1 (0.61) STIM1ORAI1L3MBTL1LMNAIKBKE
SCHEMBL34469461 0.80 RPS6KB1 (0.43) L3MBTL1KDRROCK2MAPK14HTT
SCHEMBL2892068 0.80 IL2 (0.50) STIM1ORAI1KDRKMT2AHTT
SCHEMBL3809188 0.78 STIM1 (0.62) STIM1ORAI1L3MBTL1LMNATRPC1
SCHEMBL12093655 0.76 STIM1 (0.61) STIM1ORAI1L3MBTL1TRPC1TRPC3
SCHEMBL30115256 0.76 L3MBTL1 (0.60) STIM1ORAI1L3MBTL1LMNATRPC1
SCHEMBL22963047 0.76 L3MBTL1 (0.60) STIM1ORAI1L3MBTL1LMNATRPC1
SCHEMBL1825866 0.76 STIM1 (0.60) STIM1ORAI1L3MBTL1LMNATRPC1
SCHEMBL5033826 0.76 OPRD1 (0.44) LMNAKDRPTPN1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 — — EP claimed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 — — US claimed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 — — WO claimed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 — — US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 — — US disclosed
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 STIM1 1999/4885ORAI1 1948/4885L3MBTL1 1618/4885

“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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