SCHEMBL9830474

SCHEMBL9830474

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.72
CTSL P07711 5/20 0.67
MME P08473 2/20 0.66
BACE1 P56817 1/20 0.61
CTSS P25774 2/20 0.61
CTSK P43235 2/20 0.61
CTSB P07858 1/20 0.57
FOLH1 Q04609 1/20 0.57

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
SCHEMBL9830466 1.00 PSMB5 (0.72) PSMB5CTSLMMEBACE1CTSS
SCHEMBL10656896 0.95 CTSL (0.70) PSMB5CTSLMMEBACE1CTSS
SCHEMBL2735614 0.95 CTSL (0.70) PSMB5CTSLMMEBACE1CTSS
SCHEMBL4356229 0.89 ACE (0.68) PSMB5CTSLMMECTSSCTSK
SCHEMBL4357736 0.89 ACE (0.68) PSMB5CTSLMMECTSSCTSK
SCHEMBL6032313 0.89 PSMB5 (0.67) PSMB5CTSLBACE1CTSSCTSK
SCHEMBL9829021 0.88 OPRM1 (0.62) PSMB5CTSLMMECTSBFOLH1
SCHEMBL9829089 0.88 OPRM1 (0.62) PSMB5CTSLMMECTSBFOLH1
SCHEMBL7292059 0.88 MME (0.71) MMEFOLH1
SCHEMBL9832280 0.88 ACE (0.64) PSMB5CTSLMMEFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315693-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RES TRIANGLE INST (US) 2019-10-17 US disclosed
US-10377718-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2019-08-13 US disclosed
US-20160207889-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2016-07-21 US disclosed
WO-2015188073-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2015-12-10 WO disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 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 (3 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-20160207889-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP PSMB5 3507/4885CTSL 898/4885MME 701/4885
US-10377718-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP PSMB5 3507/4885CTSL 898/4885MME 701/4885
US-20190315693-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP PSMB5 3507/4885CTSL 898/4885MME 701/4885

“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.