Sugi Predict

Sugi Predict / Compounds / SCHEMBL4590743

SCHEMBL4590743

SCHEMBL4590743

Cc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@H](C(=O)C4)[C@@H]3C2=O)cc1I

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL3186782 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C19
SCHEMBL4590740 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C19
SCHEMBL4590867 0.88 ALDH1A1 (0.57) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C19
SCHEMBL3191556 0.88 ALDH1A1 (0.57) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C19
SCHEMBL3191576 0.88 ALDH1A1 (0.57) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C19
SCHEMBL3191564 0.88 ALDH1A1 (0.57) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C19
SCHEMBL3197332 0.85 POLB (0.49) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C19
SCHEMBL3187185 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C19
SCHEMBL3197319 0.85 POLB (0.49) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C19
SCHEMBL3197341 0.85 POLB (0.49) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C19

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-1379249-A4 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-01-09 — — EP claimed
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
EP-1379249-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-01-14 — — EP claimed
WO-2002067939-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-06 — — WO claimed

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 ALDH1A1 3191/4885L3MBTL1 3852/4885TSHR 133/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ALDH1A1 3191/4885L3MBTL1 3852/4885TSHR 133/4885

“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.