Sugi Predict

Sugi Predict / Compounds / SCHEMBL4046978

SCHEMBL4046978

SCHEMBL4046978

O=S(=O)(N1CCOCC1)N1Cc2ccc(Br)cc2/C=C\c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RECQL P46063 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4046982 1.00 HSD17B3 (0.37) HSD17B3POLBLMNATSHRHTT
SCHEMBL4046836 0.82 HSD17B3 (0.43) HSD17B3POLBLMNAALDH1A1MAPT
SCHEMBL4046833 0.82 HSD17B3 (0.43) HSD17B3POLBLMNAALDH1A1MAPT
SCHEMBL4045798 0.77 PIK3CA (0.41) HSD17B3KMT2AMEN1
SCHEMBL4796937 0.72 HSD17B3 (0.49) HSD17B3LMNAALDH1A1GAAMAPT
SCHEMBL4047333 0.70 HSD17B3 (0.55) HSD17B3
SCHEMBL4047326 0.70 HSD17B3 (0.55) HSD17B3
SCHEMBL4800719 0.68 HSD17B3 (0.52) HSD17B3ALDH1A1MAPTSMN1; SMN2
SCHEMBL4800729 0.68 HSD17B3 (0.52) HSD17B3ALDH1A1MAPTSMN1; SMN2
SCHEMBL4048923 0.64 HSD17B3 (0.70) HSD17B3

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 1/4885POLB 681/4885LMNA 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.