Sugi Predict

Sugi Predict / Compounds / SCHEMBL3190875

SCHEMBL3190875

SCHEMBL3190875

Cc1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@H]5C=C[C@H]54)[C@@H]3C2=O)ccc1Br

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ALKBH5 Q6P6C2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL5922813 1.00 TSHR (0.69) TSHRL3MBTL1NPSR1CYP3A4CYP2C19
SCHEMBL13483800 1.00 TSHR (0.69) TSHRL3MBTL1NPSR1CYP3A4CYP2C19
SCHEMBL3187473 0.90 TSHR (0.64) TSHRL3MBTL1NPSR1CYP3A4CYP2C19
SCHEMBL13483363 0.90 TSHR (0.64) TSHRL3MBTL1NPSR1CYP3A4CYP2C19
SCHEMBL3199137 0.88 TSHR (0.71) TSHRL3MBTL1NPSR1CYP3A4CYP2C19
SCHEMBL3199143 0.88 TSHR (0.71) TSHRL3MBTL1NPSR1CYP3A4CYP2C19
SCHEMBL3198062 0.82 TSHR (1.00) TSHRL3MBTL1NPSR1CYP3A4CYP2C19
SCHEMBL3190726 0.82 TSHR (0.84) TSHRL3MBTL1NPSR1CYP3A4CYP2C19
SCHEMBL3190734 0.82 TSHR (0.84) TSHRL3MBTL1NPSR1CYP3A4CYP2C19
SCHEMBL4078328 0.82 TSHR (0.66) TSHRL3MBTL1NPSR1CYP3A4CYP2C19

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 TSHR 133/4885L3MBTL1 3852/4885NPSR1 2435/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 TSHR 133/4885L3MBTL1 3852/4885NPSR1 2435/4885

“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.