SCHEMBL4078328

SCHEMBL4078328

Cc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@@H]3O2)ccc1Br

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
ATM Q13315 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
CYP2C19 P33261 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP3A4 P08684 1/20 0.48
POLB P06746 3/20 0.42
GAA P10253 2/20 0.39
ALKBH5 Q6P6C2 1/20 0.38
CYP1A2 P05177 1/20 0.38
TP53 P04637 1/20 0.36

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
SCHEMBL4078331 1.00 TSHR (0.66) TSHRATML3MBTL1ALDH1A1MAPT
SCHEMBL13870644 1.00 TSHR (0.66) TSHRATML3MBTL1ALDH1A1MAPT
SCHEMBL13480902 1.00 TSHR (0.66) TSHRATML3MBTL1ALDH1A1MAPT
SCHEMBL3190875 0.82 TSHR (0.69) TSHRATML3MBTL1ALDH1A1HSD17B10
SCHEMBL13483800 0.82 TSHR (0.69) TSHRATML3MBTL1ALDH1A1HSD17B10
SCHEMBL5922813 0.82 TSHR (0.69) TSHRATML3MBTL1ALDH1A1HSD17B10
SCHEMBL3187224 0.81 TSHR (0.64) TSHRATML3MBTL1ALDH1A1HSD17B10
SCHEMBL3187240 0.81 TSHR (0.64) TSHRATML3MBTL1ALDH1A1HSD17B10
SCHEMBL3198062 0.79 TSHR (1.00) TSHRATML3MBTL1ALDH1A1MAPT
SCHEMBL3190726 0.79 TSHR (0.84) TSHRATML3MBTL1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319007-B9 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2007-10-10 EP claimed
EP-1319007-B1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
EP-1854798-A2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function Bristol-Myers Squibb Company (US) 2007-11-14 EP disclosed
US-7141578-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 US disclosed
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-08 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 (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-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TSHR 101/4885ATM 1480/4885L3MBTL1 3916/4885

“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.