SCHEMBL3557705

SCHEMBL3557705

CCCc1ccc(C(=O)N(CC)CC)c(SC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 4/20 0.38
HSP90AB1 P08238 4/20 0.38
PPARA Q07869 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PPARG P37231 1/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
SORT1 Q99523 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KAT8 Q9H7Z6 2/20 0.35
MCL1 Q07820 1/20 0.35
TSHR P16473 1/20 0.35
THRA P10827 1/20 0.35

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
SCHEMBL4462445 0.79 CYP3A4 (0.50) MEN1KMT2AHSP90AA1HSP90AB1PPARA
SCHEMBL5371571 0.78 LPL (0.42) MEN1KMT2AHSP90AA1HSP90AB1PPARA
SCHEMBL31435348 0.78 SMN1; SMN2 (0.42) KMT2APPARACNR1CNR2PPARG
SCHEMBL2975263 0.77 KMT2A (0.47) MEN1KMT2AHSP90AA1HSP90AB1HPGD
SCHEMBL17877660 0.74 KMT2A (0.54) MEN1KMT2AHPGDMAPK1TP53
SCHEMBL30343474 0.74 KMT2A (0.54) MEN1KMT2AHPGDMAPK1TP53
SCHEMBL20503283 0.73 PPARA (0.67) MEN1KMT2APPARAPPARGKAT8
SCHEMBL3563407 0.71 ESR1 (0.58) MEN1KMT2AHSP90AA1HSP90AB1ESR1
SCHEMBL11453245 0.70 PPARA (0.39) PPARAPPARGHPGDTP53KAT8
SCHEMBL20556212 0.70 PPARA (0.54) PPARAPPARGKAT8THRATHRB

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-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A MEN1 1542/4885KMT2A 3307/4885HSP90AA1 3657/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B MEN1 1633/4885KMT2A 3492/4885HSP90AA1 3330/4885

“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.