SCHEMBL3554135

SCHEMBL3554135

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(CF)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.64
CTSS P25774 7/20 0.58
CTSK P43235 6/20 0.58
CTSB P07858 4/20 0.56
CTSL P07711 2/20 0.55
PTPN1 P18031 1/20 0.55
PPARA Q07869 3/20 0.53
PPARG P37231 2/20 0.53
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
ITGB1 P05556 1/20 0.51
ITGAV P06756 1/20 0.51
ITGB5 P18084 1/20 0.51
APP P05067 1/20 0.49
MAPK1 P28482 1/20 0.48
KLK5 Q9Y337 1/20 0.48
PPARD Q03181 1/20 0.48

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
SCHEMBL3554137 1.00 ACE (0.64) ACECTSSCTSKCTSBCTSL
SCHEMBL29400678 0.88 CTSS (0.74) ACECTSSCTSKCTSBCTSL
SCHEMBL478595 0.88 CTSS (0.74) ACECTSSCTSKCTSBCTSL
SCHEMBL478597 0.88 CTSS (0.74) ACECTSSCTSKCTSBCTSL
SCHEMBL10054635 0.88 ACE (0.64) ACECTSSCTSKCTSBCTSL
SCHEMBL1269412 0.88 CTSS (0.74) ACECTSSCTSKCTSBCTSL
SCHEMBL10054651 0.88 ACE (0.64) ACECTSSCTSKCTSBCTSL
SCHEMBL16448211 0.87 ACE (0.62) ACECTSSCTSKCTSBCTSL
SCHEMBL17910533 0.87 ACE (0.62) ACECTSSCTSKCTSBCTSL
SCHEMBL31407584 0.86 ACE (0.63) 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.