SCHEMBL4801003

SCHEMBL4801003

CC(=O)N1Cc2ccc(-c3cccc(C(=O)O)n3)cc2CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 13/20 0.61
SCN9A Q15858 2/20 0.48
BCL2L1 Q07817 2/20 0.47
NOTUM Q6P988 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL4795162 0.89 HSD17B3 (0.55) HSD17B3SCN9ANOTUM
SCHEMBL4795091 0.86 HSD17B3 (0.63) HSD17B3SCN9ANOTUM
SCHEMBL4800907 0.86 HSD17B3 (0.63) HSD17B3SCN9ANOTUM
SCHEMBL4796700 0.84 HSD17B3 (0.57) HSD17B3NOTUM
SCHEMBL4799987 0.82 HSD17B3 (0.62) HSD17B3NOTUM
SCHEMBL6388516 0.82 HSD17B3 (0.46) HSD17B3SCN9ABCL2L1
SCHEMBL6388510 0.82 HSD17B3 (0.46) HSD17B3SCN9ABCL2L1
SCHEMBL6392589 0.77 HSD17B3 (0.73) HSD17B3NOTUM
SCHEMBL4802970 0.77 HSD17B3 (0.48) HSD17B3
SCHEMBL4800055 0.76 HSD17B3 (1.00) 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 1/4885SCN9A 4142/4885BCL2L1 2270/4885

“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.