SCHEMBL5033826

SCHEMBL5033826

COC(=O)c1cc(-c2ccc(NC(=O)c3sncc3C)cc2)c(C)s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.44
▸ CISD2 Q8N5K1 8/20 0.41
▸ GUSB P08236 1/20 0.39
▸ PTPN1 P18031 4/20 0.39
▸ KDR P35968 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CSF1R P07333 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ HIPK4 Q8NE63 1/20 0.37
▸ SRPK1 Q96SB4 1/20 0.37

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
SCHEMBL5033859 0.83 LMNA (0.54) OPRD1KDM4EGAAMAPTLMNA
SCHEMBL5030793 0.80 LMNA (0.48) OPRD1KDRLMNA
SCHEMBL5027383 0.76 STIM1 (0.60) OPRD1PTPN1KDRGAALMNA
SCHEMBL2892068 0.76 IL2 (0.50) KDRRAB9A
SCHEMBL14388646 0.70 OPRD1 (0.40) OPRD1PTPN1KDRGAAMAPT
SCHEMBL15164961 0.70 KMT2A (0.44) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL15983157 0.69 STIM1 (0.38) PTPN1KDRLMNARAB9ACSF1R
SCHEMBL15164962 0.69 STIM1 (0.46) KDRMAPTSMN1; SMN2RAB9ACSF1R
SCHEMBL34469665 0.67 IL2 (0.46) OPRD1KDRKDM4EGAALMNA
SCHEMBL2814915 0.67 RAB9A (0.41) MAPTSMN1; SMN2RAB9A

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 8 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
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 OPRD1 2191/4885CISD2 3862/4885GUSB 1134/4885

“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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