SCHEMBL5167644

SCHEMBL5167644

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
CTSK P43235 4/20 0.41
CTSS P25774 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ACE P12821 1/20 0.40
SLC7A5 Q01650 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP1A2 P05177 1/20 0.38
KLK5 Q9Y337 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL9516360 0.89 PPARG (0.47)
SCHEMBL7323732 0.79 ALDH1A1 (0.49) CTSBCYP1A2TDP1
SCHEMBL7698674 0.77 ATM (0.43) ATMCTSKCTSSCTSLCTSB
SCHEMBL7693679 0.77 ATM (0.43) ATMCTSKCTSSCTSLCTSB
SCHEMBL28176691 0.75 ATM (0.49) ATMCTSKCTSSCTSLCTSB
SCHEMBL10762956 0.74 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL10770154 0.74 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL10763164 0.74 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL22605148 0.72 ATM (0.41) ATMCTSKCTSSCTSLCTSB
SCHEMBL10886030 0.71 SLC7A5 (0.50) ATMCTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074316-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOGS GILON CHAIM (IL) 2004-09-02 WO claimed
EP-0804468-B1 METHOD OF MAKING AN OMEGA-FUNCTIONALIZED AMINO ACID DERIVATIVE DEVELOGEN ISRAEL LTD (IL) 2007-04-25 EP disclosed
US-7084244-B2 Conformationally constrained backbone cyclized peptide analogs DEVELOGEN ISRAEL LTD. (IL) 2006-08-01 US disclosed
WO-2004074316-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOGS GILON CHAIM (IL) 2004-09-02 WO disclosed
US-20030144186-A1 Conformationally constrained backbone cyclized peptide analogs DEVELOGEN ISRAEL LTD. (IL) 2003-07-31 US disclosed
US-6407059-B1 SOMATOSTATIN-TYPE DRUG PEPTOR LIMITED (IL) 2002-06-18 US disclosed
US-6265375-B1 Conformationally constrained backbone cyclized peptide analogs YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY (IL) 2001-07-24 US disclosed
EP-0804468-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD (IL) 1997-11-05 EP disclosed
WO-1995033765-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD. (IL) 1995-12-14 WO disclosed
EP-0483271-B1 PEPTIDES CONTAINING DIAMINO-GLYCOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1993-08-25 EP disclosed
EP-0546115-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1993-06-16 EP disclosed
EP-0486478-A2 Renin-inhibiting peptides THE UPJOHN COMPANY (US) 1992-05-20 EP disclosed
WO-1992003472-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1992-03-05 WO disclosed
EP-0218688-B1 DIHALO-STATINE SUBSTITUTED RENIN INHIBITORS THE UPJOHN COMPANY (US) 1990-09-12 EP disclosed
WO-1990002137-A1 RENIN INHIBITORY PEPTIDES CONTAINING SULEPTANIC ACID OR DERIVATIVES THEREOF THE UPJOHN COMPANY (US) 1990-03-08 WO disclosed
EP-0355065-A1 Renin inhibitory peptides containing suleptanic acid or derivatives thereof THE UPJOHN COMPANY (US) 1990-02-21 EP disclosed
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 EP disclosed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 EP 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-20030144186-A1 Conformationally constrained backbone cyclized peptide analogs VIP, BDKRB1, BDKRB2 ATM 3612/4885CTSK 753/4885CTSS 800/4885

“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.