Sugi Predict

Sugi Predict / Compounds / SCHEMBL3191908

SCHEMBL3191908

SCHEMBL3191908

COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.61
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43

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
SCHEMBL3191920 1.00 GAA (0.61) GAAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL3179825 0.92 GAA (0.51) GAAMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3179839 0.92 GAA (0.51) GAAMEN1KMT2ANPSR1ALDH1A1
SCHEMBL5517048 0.89 GAA (0.64) GAAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL5524583 0.86 GAA (0.64) GAAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL14599389 0.82 SMN1; SMN2 (0.63) GAAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL3191848 0.81 L3MBTL1 (0.52) GAAMEN1KMT2ATSHRNPSR1
SCHEMBL3191841 0.81 L3MBTL1 (0.52) GAAMEN1KMT2ATSHRNPSR1
SCHEMBL3190761 0.80 MEN1 (0.67) GAAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL3187805 0.80 PPOX (0.64) MEN1KMT2ATSHRNPSR1CYP2C19

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 GAA 4211/4885MEN1 1676/4885KMT2A 1756/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 GAA 4211/4885MEN1 1676/4885KMT2A 1756/4885

“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.