Sugi Predict

Sugi Predict / Compounds / SCHEMBL4046833

SCHEMBL4046833

SCHEMBL4046833

CS(=O)(=O)N1Cc2ccc(Br)cc2/C=C\c2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FNTA P49354 2/20 0.33
▸ FNTB P49356 2/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ HTR6 P50406 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL4046836 1.00 HSD17B3 (0.43) HSD17B3ALDH1A1LMNANPC1RAB9A
SCHEMBL4046982 0.82 HSD17B3 (0.37) HSD17B3ALDH1A1LMNARAB9AMEN1
SCHEMBL4046978 0.82 HSD17B3 (0.37) HSD17B3ALDH1A1LMNARAB9AMEN1
SCHEMBL4231743 0.75 ALPL (0.39) HSD17B3
SCHEMBL4231738 0.75 ALPL (0.39) HSD17B3
SCHEMBL4047333 0.75 HSD17B3 (0.55) HSD17B3FNTAFNTB
SCHEMBL4047326 0.75 HSD17B3 (0.55) HSD17B3FNTAFNTB
SCHEMBL4800729 0.72 HSD17B3 (0.52) HSD17B3ALDH1A1MAPTSMN1; SMN2
SCHEMBL4800719 0.72 HSD17B3 (0.52) HSD17B3ALDH1A1MAPTSMN1; SMN2
SCHEMBL4795507 0.69 HSD17B3 (0.54) HSD17B3ALDH1A1NPC1RAB9ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720613-A4 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 BRISTOL MYERS SQUIBB CO (US) 2009-05-06 — — EP disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
EP-1720613-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 Bristol-Myers Squibb Company (US) 2006-11-15 — — EP disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 — — US disclosed
WO-2005084296-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 — — 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 HSD17B3 1/4885ALDH1A1 186/4885LMNA 2354/4885

“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.