Sugi Predict

Sugi Predict / Compounds / SCHEMBL3201440

SCHEMBL3201440

SCHEMBL3201440

O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@@H]1C=C[C@H]2C1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.65
▸ CA2 P00918 2/20 0.65
▸ USP2 O75604 1/20 0.65
▸ TSHR P16473 3/20 0.63
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL3201450 1.00 CA1 (0.65) CA1CA2USP2TSHRCYP3A4
SCHEMBL10014710 0.91 USP2 (0.76) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3180414 0.89 POLB (0.69) CA1CA2USP2TSHRCYP3A4
SCHEMBL3180404 0.89 POLB (0.69) CA1CA2USP2TSHRCYP3A4
SCHEMBL14494329 0.87 TSHR (0.54) CA1CA2USP2TSHRCYP3A4
SCHEMBL15093017 0.84 USP2 (0.67) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL15462272 0.83 SMN1; SMN2 (0.60) CA1CA2USP2TSHRCYP3A4
SCHEMBL14960062 0.83 SMN1; SMN2 (0.60) CA1CA2USP2TSHRCYP3A4
SCHEMBL12571941 0.83 SMN1; SMN2 (0.60) CA1CA2USP2TSHRCYP3A4
SCHEMBL12549628 0.83 SMN1; SMN2 (0.60) CA1CA2USP2TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 — — US claimed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 — — US claimed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 — — 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 (2 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-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 CA1 3308/4885CA2 3673/4885USP2 1946/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 CA1 3308/4885CA2 3673/4885USP2 1946/4885

“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.