SCHEMBL5522848

SCHEMBL5522848

COC(=O)[C@@H](CCC(=O)c1cccc(F)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.48
CTSK P43235 4/20 0.48
KLK5 Q9Y337 1/20 0.42
PPARG P37231 5/20 0.42
PPARA Q07869 4/20 0.42
PPARD Q03181 2/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
ACE P12821 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL31479840 1.00 CTSS (0.48) CTSSCTSKKLK5PPARGPPARA
SCHEMBL28285500 1.00 CTSS (0.48) CTSSCTSKKLK5PPARGPPARA
SCHEMBL2587430 0.91 ALDH1A1 (0.50) CTSSCTSKPPARGPPARAPPARD
SCHEMBL28907996 0.91 ALDH1A1 (0.50) CTSSCTSKPPARGPPARAPPARD
SCHEMBL4524084 0.90 CTSS (0.52) CTSSCTSKPPARGPPARAPPARD
SCHEMBL4524077 0.90 CTSS (0.52) CTSSCTSKPPARGPPARAPPARD
SCHEMBL28285332 0.88 CTNNB1 (0.45) KLK5PPARGPPARAPPARDJAK3
SCHEMBL28285330 0.88 CTNNB1 (0.45) KLK5PPARGPPARAPPARDJAK3
SCHEMBL28285337 0.87 CTSL (0.48) KLK5PPARGPPARAPPARDJAK3
SCHEMBL23878363 0.86 ALDH1A1 (0.47) CTSSCTSKKLK5PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476639-A Pyrrolidin derivatives 橘生药品工业股份有限公司 2019-03-15 CN disclosed
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
EP-1663975-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-06-07 EP disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
WO-2005028440-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2005-03-31 WO disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP CTSS 23/4885CTSK 42/4885KLK5 4482/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP CTSS 76/4885CTSK 149/4885KLK5 3993/4885

“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.