SCHEMBL5033859

SCHEMBL5033859

COC(=O)c1cc(-c2ccc(NC(=O)c3snnc3C)cc2)c(C)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ GAA P10253 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ TRPC3 Q13507 1/20 0.45
▸ ORAI1 Q96D31 1/20 0.45
▸ TRPC5 Q9UL62 1/20 0.45
▸ CRACR2A Q9BSW2 2/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTT P42858 1/20 0.41

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 0.83 OPRD1 (0.44) LMNAGAAKDM4EMAPTOPRD1
SCHEMBL7972108 0.78 LMNA (0.84) LMNAGAAKDM4EALDH1A1TRPC3
SCHEMBL1827209 0.77 ORAI1 (0.56) LMNAGAAMAPTALDH1A1TRPC3
SCHEMBL2892068 0.76 IL2 (0.50) ORAI1MEN1KMT2ARAB9AHTT
SCHEMBL5030793 0.75 LMNA (0.48) LMNAORAI1OPRD1KMT2A
SCHEMBL1828387 0.74 LMNA (0.52) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL16363177 0.74 LMNA (0.52) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL16363160 0.74 LMNA (0.57) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL6621449 0.74 LMNA (0.77) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL16363159 0.74 TRPC3 (0.54) LMNAGAAKDM4EALDH1A1TRPC3

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 7 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
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 — — EP 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
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 — — 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 (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 LMNA 2181/4885GAA 1129/4885KDM4E 859/4885

“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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