SCHEMBL23700460

SCHEMBL23700460

Cc1ccc(CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CCC(=O)O)NC(=O)CCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 4/20 0.51
▸ CXCL8 P10145 8/20 0.51
▸ OPRM1 P35372 2/20 0.49
▸ TACR1 P25103 1/20 0.49
▸ CCKAR P32238 2/20 0.48
▸ DPP3 Q9NY33 2/20 0.47
▸ PSMB8 P28062 1/20 0.47
▸ PSMB5 P28074 1/20 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
SCHEMBL23700371 1.00 CCKBR (0.51) CCKBRCXCL8OPRM1TACR1CCKAR
SCHEMBL23700374 1.00 CCKBR (0.51) CCKBRCXCL8OPRM1TACR1CCKAR
SCHEMBL23700377 1.00 CCKBR (0.51) CCKBRCXCL8OPRM1TACR1CCKAR
SCHEMBL23700255 0.96 CCKBR (0.50) CCKBRCXCL8OPRM1TACR1CCKAR
SCHEMBL23700260 0.96 CCKBR (0.50) CCKBRCXCL8OPRM1TACR1CCKAR
SCHEMBL23700257 0.96 CCKBR (0.50) CCKBRCXCL8OPRM1TACR1CCKAR
SCHEMBL23700369 0.96 CCKBR (0.52) CCKBRCXCL8OPRM1TACR1CCKAR
SCHEMBL23700370 0.96 CCKBR (0.52) CCKBRCXCL8OPRM1TACR1CCKAR
SCHEMBL23700364 0.96 CCKBR (0.52) CCKBRCXCL8OPRM1TACR1CCKAR
SCHEMBL23700395 0.95 CCKBR (0.56) CCKBRCXCL8OPRM1TACR1

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 4137/4885CXCL8 3919/4885OPRM1 3964/4885

“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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