SCHEMBL23700452

SCHEMBL23700452

CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CCl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 4/20 0.52
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CTSH P09668 1/20 0.50
▸ CXCL8 P10145 6/20 0.49
▸ KISS1R Q969F8 4/20 0.48
▸ CXCR4 P61073 1/20 0.48
▸ CCKAR P32238 1/20 0.48
▸ OPRM1 P35372 2/20 0.47

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
SCHEMBL23700456 1.00 CCKBR (0.52) CCKBRCTSLCTSSCTSKCTSH
SCHEMBL23700455 1.00 CCKBR (0.52) CCKBRCTSLCTSSCTSKCTSH
SCHEMBL23710215 0.95 CCKBR (0.47) CCKBRCTSLCTSSCTSKCTSH
SCHEMBL23700221 0.92 CTSL (0.55) CCKBRCTSLCTSSCTSKCTSH
SCHEMBL23700224 0.92 CTSL (0.55) CCKBRCTSLCTSSCTSKCTSH
SCHEMBL23700226 0.92 CTSL (0.55) CCKBRCTSLCTSSCTSKCTSH
SCHEMBL23700376 0.90 CCKBR (0.53) CCKBRCTSLCTSSCTSKCTSH
SCHEMBL23700368 0.90 CCKBR (0.53) CCKBRCTSLCTSSCTSKCTSH
SCHEMBL23700372 0.90 CCKBR (0.53) CCKBRCTSLCTSSCTSKCTSH
SCHEMBL23710283 0.89 KISS1R (0.43) CCKBRCTSLCTSSCTSKCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-08-05 — — US 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-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) PIN1, PPIA, PPIE CCKBR 4137/4885CTSL 882/4885CTSS 1613/4885

“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.

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