SCHEMBL5027375

SCHEMBL5027375

Cc1nc(N2CCOCC2)sc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
GAA P10253 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
DGAT1 O75907 2/20 0.43
TSHR P16473 2/20 0.43
CLK1 P49759 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
IGF1R P08069 1/20 0.43
TNF P01375 1/20 0.43
IL2 P60568 1/20 0.43
STIM1 Q13586 1/20 0.43

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
SCHEMBL5126561 0.90 ALDH1A1 (0.47) NPC1RAB9AGAAALDH1A1HPGD
SCHEMBL5030745 0.79 DGAT1 (0.46) NPC1RAB9AGAAALDH1A1HPGD
SCHEMBL5048755 0.77 NPC1 (0.51) NPC1RAB9AGAAALDH1A1TSHR
SCHEMBL5029476 0.75 IL2 (0.49) NPC1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL5032064 0.74 IL2 (0.53) NPC1RAB9AGAAALDH1A1HPGD
SCHEMBL4724764 0.74 IL2 (0.56) NPC1RAB9AIL2
SCHEMBL8233280 0.72 GAA (0.46) NPC1RAB9AGAAALDH1A1MAPT
SCHEMBL5033856 0.71 JAK2 (0.51) NPC1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL2314424 0.69 MEN1 (0.53) NPC1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL16017437 0.69 MEN1 (0.65) NPC1RAB9AGAAALDH1A1HPGD

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 9 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
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 NPC1 636/4885RAB9A 2515/4885GAA 1129/4885

“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.