SCHEMBL5032077

SCHEMBL5032077

Cc1cc(-c2ncco2)sc1-c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
LTA4H P09960 1/20 0.36
IL2 P60568 1/20 0.35
HPGD P15428 3/20 0.34
BACE1 P56817 3/20 0.34
BACE2 Q9Y5Z0 3/20 0.34
KDR P35968 1/20 0.33
LCK P06239 1/20 0.33
KIT P10721 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
ACHE P22303 1/20 0.33
APP P05067 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5033841 0.86 ESR1 (0.37) ESR1ESR2LTA4HIL2HPGD
SCHEMBL5032076 0.83 MKNK1 (0.44) ESR1ESR2IL2HPGDNPC1
SCHEMBL5462962 0.78 ESR1 (0.35) ESR1ESR2LTA4HIL2HSD17B1
SCHEMBL5033838 0.78 PRF1 (0.40) ESR1ESR2IL2HPGDBACE1
SCHEMBL5033831 0.75 ALOX5 (0.40) LTA4HHPGDKDRACHEAPP
SCHEMBL5029508 0.75 ESR1 (0.56) ESR1ESR2HPGDHSD17B1HSD17B2
SCHEMBL5032069 0.73 KDM4E (0.46) ESR1ESR2HSD17B1HSD17B2NPC1
SCHEMBL5033805 0.73 ESR1 (0.43) ESR1ESR2HSD17B1HSD17B2ACHE
SCHEMBL224239 0.73 LTA4H (0.55) LTA4HHPGDKDRACHENPC1
SCHEMBL5029379 0.72 IL2 (0.43) LTA4HIL2HPGDKDRLCK

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
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
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 ESR1 2368/4885ESR2 3387/4885LTA4H 178/4885

“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.