SCHEMBL4800539

SCHEMBL4800539

CC(=O)N1Cc2cc(-c3ccccc3NS(C)(=O)=O)ccc2C=Cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 11/20 0.61
MCL1 Q07820 1/20 0.47
KDM1A O60341 1/20 0.42
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
NOTUM Q6P988 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 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
SCHEMBL4800525 1.00 HSD17B3 (0.61) HSD17B3MCL1KDM1ACDK1CDK2
SCHEMBL4797937 0.86 HSD17B3 (0.47) HSD17B3NOTUM
SCHEMBL4797946 0.86 HSD17B3 (0.47) HSD17B3NOTUM
SCHEMBL4800392 0.82 HSD17B3 (0.80) HSD17B3MCL1
SCHEMBL4799597 0.82 HSD17B3 (0.74) HSD17B3MCL1
SCHEMBL4798281 0.80 HSD17B3 (0.57) HSD17B3NOTUM
SCHEMBL4798274 0.80 HSD17B3 (0.57) HSD17B3NOTUM
SCHEMBL4799564 0.79 HSD17B3 (0.49) HSD17B3NOTUM
SCHEMBL4799575 0.79 HSD17B3 (0.49) HSD17B3NOTUM
SCHEMBL4800561 0.78 HSD17B3 (0.59) HSD17B3NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 HSD17B3 1/4885MCL1 2010/4885KDM1A 3323/4885

“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.