SCHEMBL4797937

SCHEMBL4797937

CC(=O)Nc1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccccc1/C=C\2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 12/20 0.47
OTUD7B Q6GQQ9 2/20 0.41
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
METAP2 P50579 1/20 0.37
P2RX4 Q99571 1/20 0.36

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
SCHEMBL4797946 1.00 HSD17B3 (0.47) HSD17B3OTUD7BNOTUMALDH1A1NPC1
SCHEMBL4044751 0.89 HSD17B3 (0.62) HSD17B3
SCHEMBL4044754 0.89 HSD17B3 (0.62) HSD17B3
SCHEMBL4800525 0.86 HSD17B3 (0.61) HSD17B3NOTUM
SCHEMBL4800539 0.86 HSD17B3 (0.61) HSD17B3NOTUM
SCHEMBL4798274 0.83 HSD17B3 (0.57) HSD17B3NOTUM
SCHEMBL4798281 0.83 HSD17B3 (0.57) HSD17B3NOTUM
SCHEMBL4799575 0.82 HSD17B3 (0.49) HSD17B3NOTUM
SCHEMBL4799564 0.82 HSD17B3 (0.49) HSD17B3NOTUM
SCHEMBL4800647 0.81 HSD17B3 (0.67) HSD17B3ALDH1A1

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 1/4885OTUD7B 1674/4885NOTUM 465/4885

“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.