Sugi Predict

Sugi Predict / Compounds / SCHEMBL4045798

SCHEMBL4045798

SCHEMBL4045798

COc1ccc(-c2ccc3c(c2)C=Cc2cc(Cl)ccc2N(S(=O)(=O)N2CCOCC2)C3)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.41
▸ CD274 Q9NZQ7 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ ACLY P53396 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.33
▸ OTUD7B Q6GQQ9 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ RIOK2 Q9BVS4 1/20 0.33
▸ HSD17B3 P37058 1/20 0.32
▸ PDE5A O76074 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
SCHEMBL4045794 1.00 PIK3CA (0.41) PIK3CACD274ALPLMEN1KMT2A
SCHEMBL4231743 0.86 ALPL (0.39) ALPLKCNH2ACLYOTUD7BRIOK2
SCHEMBL4231738 0.86 ALPL (0.39) ALPLKCNH2ACLYOTUD7BRIOK2
SCHEMBL6387449 0.78 HSD17B3 (0.56) USP30HSD17B3
SCHEMBL6387452 0.78 HSD17B3 (0.56) USP30HSD17B3
SCHEMBL4046978 0.77 HSD17B3 (0.37) MEN1KMT2AHSD17B3
SCHEMBL4046982 0.77 HSD17B3 (0.37) MEN1KMT2AHSD17B3
SCHEMBL4796570 0.77 HSD17B3 (0.47) ALPLMEN1KMT2AKCNH2USP30
SCHEMBL4796559 0.77 HSD17B3 (0.47) ALPLMEN1KMT2AKCNH2USP30
SCHEMBL4799533 0.75 IDH1 (0.50) PIK3CAPIK3CDUSP30PIK3CBPIK3CG

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 5 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
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 PIK3CA 1068/4885CD274 4453/4885ALPL 890/4885

“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.