SCHEMBL5744515

SCHEMBL5744515

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
TSHR P16473 1/20 0.52
SYK P43405 1/20 0.51
APP P05067 4/20 0.50
ACE P12821 1/20 0.50
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CYP3A4 P08684 1/20 0.47
KLK5 Q9Y337 2/20 0.47
ALDH1A1 P00352 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
SCHEMBL5742902 1.00 ATM (0.60) ATMTSHRSYKAPPACE
SCHEMBL597848 0.93 CTSS (0.53) ATMTSHRSYKAPPACE
SCHEMBL597847 0.93 CTSS (0.53) ATMTSHRSYKAPPACE
SCHEMBL23168374 0.90 ATM (0.65) ATMTSHRSYKAPPACE
SCHEMBL5408401 0.90 ATM (0.65) ATMTSHRSYKAPPACE
SCHEMBL5408407 0.90 ATM (0.65) ATMTSHRSYKAPPACE
SCHEMBL21214797 0.89 CTSK (0.49) ATMTSHRSYKAPPACE
SCHEMBL16232045 0.88 ATM (0.62) ATMTSHRSYKAPPACE
SCHEMBL18262766 0.87 ATM (0.46) ATMTSHRCTSK
SCHEMBL5411669 0.86 ATM (0.67) ATMSYKAPPACECTSK

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 ATM 2561/4885TSHR 1012/4885SYK 1995/4885

“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.