SCHEMBL4799515

SCHEMBL4799515

CSCOc1ccc2c(c1)C=Cc1ccccc1N(C(C)=O)C2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 15/20 0.49
SMN1; SMN2 Q16637 2/20 0.36
P2RX4 Q99571 2/20 0.36
PTBP1 P26599 1/20 0.36
P2RX1 P51575 1/20 0.36
P2RX3 P56373 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX7 Q99572 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
CACNA1B Q00975 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL4799503 1.00 HSD17B3 (0.49) HSD17B3SMN1; SMN2P2RX4PTBP1P2RX1
SCHEMBL4797840 0.85 HSD17B3 (0.48) HSD17B3MAPTTSHRCACNA1B
SCHEMBL4798520 0.85 HSD17B3 (0.48) HSD17B3P2RX4TSHR
SCHEMBL4798515 0.85 HSD17B3 (0.48) HSD17B3P2RX4TSHR
SCHEMBL4797859 0.85 HSD17B3 (0.48) HSD17B3MAPTTSHRCACNA1B
SCHEMBL4225884 0.84 HSD17B3 (0.47) HSD17B3SMN1; SMN2P2RX4P2RX1P2RX3
SCHEMBL4225889 0.84 HSD17B3 (0.47) HSD17B3SMN1; SMN2P2RX4P2RX1P2RX3
SCHEMBL4798102 0.84 HSD17B3 (0.47) HSD17B3SMN1; SMN2P2RX4NPC1TP53
SCHEMBL4798094 0.84 HSD17B3 (0.47) HSD17B3SMN1; SMN2P2RX4NPC1TP53
SCHEMBL4800826 0.81 HSD17B3 (0.45) HSD17B3P2RX4

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 1/4885SMN1; SMN2 4127/4885P2RX4 4879/4885

“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.