SCHEMBL5765656

SCHEMBL5765656

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.50
ATM Q13315 2/20 0.50
TSHR P16473 1/20 0.49
ACE P12821 1/20 0.49
CTSB P07858 3/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
ALDH1A1 P00352 1/20 0.47
KLK5 Q9Y337 1/20 0.46
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
SYK P43405 1/20 0.45

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
SCHEMBL5743142 1.00 CTSL (0.50) CTSLATMTSHRACECTSB
SCHEMBL2249917 1.00 CTSL (0.50) CTSLATMTSHRACECTSB
SCHEMBL5765651 1.00 CTSL (0.50) CTSLATMTSHRACECTSB
SCHEMBL2249922 1.00 CTSL (0.50) CTSLATMTSHRACECTSB
SCHEMBL5743140 1.00 CTSL (0.50) CTSLATMTSHRACECTSB
SCHEMBL3868893 0.93 CTSS (0.53) CTSLATMTSHRACECTSB
SCHEMBL8190987 0.93 CTSS (0.53) CTSLATMTSHRACECTSB
SCHEMBL1908584 0.93 CTSS (0.53) CTSLATMTSHRACECTSB
SCHEMBL3868892 0.93 CTSS (0.53) CTSLATMTSHRACECTSB
SCHEMBL15764599 0.92 ATM (0.47) CTSLATMTSHRACECTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them MENARINI RICERCHE S.P.A. (IT) 2006-10-05 US disclosed
EP-1620432-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2006-02-01 EP disclosed
WO-2004094412-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2004-11-04 WO 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-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them BDKRB2, KLK2, BDKRB1 CTSL 525/4885ATM 2561/4885TSHR 1012/4885

“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.