SCHEMBL1790253

SCHEMBL1790253

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.70
CTSS P25774 5/20 0.57
CTSK P43235 5/20 0.57
CTSB P07858 2/20 0.57
CTSL P07711 1/20 0.57
TSHR P16473 1/20 0.52
KLK5 Q9Y337 1/20 0.51
REN P00797 2/20 0.50
AKT1 P31749 1/20 0.50
ATM Q13315 1/20 0.50
EPHX2 P34913 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
SCHEMBL7324257 0.91 ACE (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL2106430 0.91 ACE (0.63) ACECTSSCTSKCTSBCTSL
SCHEMBL6876021 0.91 ACE (0.63) ACECTSSCTSKCTSBCTSL
SCHEMBL17695878 0.91 ACE (0.63) ACECTSSCTSKCTSBCTSL
SCHEMBL6804174 0.87 CTSS (0.60) ACECTSSCTSKCTSBCTSL
SCHEMBL7326335 0.87 ACE (0.78) ACECTSSCTSKCTSBCTSL
SCHEMBL1791039 0.87 ACE (0.78) ACECTSSCTSKCTSBCTSL
SCHEMBL12122453 0.85 CTSS (0.64) ACECTSSCTSKCTSBCTSL
SCHEMBL1273042 0.85 CTSS (0.64) ACECTSSCTSKCTSBCTSL
SCHEMBL18254890 0.84 ACE (0.53) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 US disclosed
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed
WO-2019007383-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND 凯惠科技发展(上海)有限公司 2019-01-10 WO disclosed
US-7951834-B2 Angiotensin I-converting enzyme (ACE) inhibitors UNIVERSITY OF CAPE TOWN (ZA) 2011-05-31 US disclosed
US-7951834-B2 Angiotensin I-converting enzyme (ACE) inhibitors UNIVERSITY OF CAPE TOWN (ZA) 2011-05-31 US disclosed
US-7951834-B2 Angiotensin I-converting enzyme (ACE) inhibitors UNIVERSITY OF CAPE TOWN (ZA) 2011-05-31 US disclosed
US-20090281160-A1 Angiotensin I-converting enzyme (ace) inhibitors ANGIODESIGN (UK) LIMITED (GB) 2009-11-12 US disclosed
US-20090281160-A1 Angiotensin I-converting enzyme (ace) inhibitors ANGIODESIGN (UK) LIMITED (GB) 2009-11-12 US disclosed
US-20090281160-A1 Angiotensin I-converting enzyme (ace) inhibitors ANGIODESIGN (UK) LIMITED (GB) 2009-11-12 US disclosed
EP-1893633-A2 ANGIOTENSIN I - CONVERTING ENZYME (ACE) INHIBITORS University of Cape Town (ZA) 2008-03-05 EP disclosed
WO-2006126086-A2 ANGIOTENSIN I - CONVERTING ENZYME (ACE) INHIBITORS UNIVERSITY OF CAPE TOWN (ZA) 2006-11-30 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 (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-20090281160-A1 Angiotensin I-converting enzyme (ace) inhibitors ACE, ACE2, REN ACE 1/4885CTSS 172/4885CTSK 148/4885
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R ACE 1694/4885CTSS 2804/4885CTSK 1962/4885

“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.