SCHEMBL3559433

SCHEMBL3559433

C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.56
CTSS P25774 4/20 0.56
CTSK P43235 3/20 0.56
CTSB P07858 2/20 0.56
CTSL P07711 1/20 0.56
KMT2A Q03164 3/20 0.51
ATM Q13315 3/20 0.49
MEN1 O00255 1/20 0.49
AKT1 P31749 1/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
APP P05067 1/20 0.48
MAPK1 P28482 1/20 0.48
REN P00797 1/20 0.48
KLK5 Q9Y337 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47

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
SCHEMBL3556150 1.00 ACE (0.56) ACECTSSCTSKCTSBCTSL
SCHEMBL23042932 0.91 PPARA (0.49) ACECTSSCTSKCTSBCTSL
SCHEMBL30882703 0.89 CTSK (0.57) ACECTSSCTSKCTSBCTSL
SCHEMBL28750690 0.89 CTSK (0.50) ACECTSSCTSKCTSBCTSL
SCHEMBL28750692 0.89 CTSK (0.50) ACECTSSCTSKCTSBCTSL
SCHEMBL28485548 0.89 ACE (0.56) ACECTSSCTSKCTSBCTSL
SCHEMBL28485547 0.89 ACE (0.56) ACECTSSCTSKCTSBCTSL
SCHEMBL4193758 0.87 AKT1 (0.48) ACECTSSCTSKCTSBCTSL
SCHEMBL31326052 0.86 ACE (0.58) ACECTSSCTSKCTSBCTSL
SCHEMBL8894210 0.83 CTSS (0.60) ACECTSSCTSKCTSBCTSL

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 ACE 3319/4885CTSS 281/4885CTSK 664/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B ACE 3230/4885CTSS 338/4885CTSK 712/4885

“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.