SCHEMBL23700313

SCHEMBL23700313

Cc1ccc(CNC(=O)C(CCCNC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CCCCN2C(=O)C(CCC(=O)O)NC(=O)CCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 7/20 0.53
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CCKBR P32239 3/20 0.51
▸ CCKAR P32238 1/20 0.51
▸ KISS1R Q969F8 4/20 0.50
▸ CTSH P09668 1/20 0.50
▸ OPRM1 P35372 1/20 0.48
▸ CXCR4 P61073 1/20 0.48
▸ MC4R P32245 1/20 0.48
▸ MC5R P33032 1/20 0.48
▸ MC3R P41968 1/20 0.48
▸ MC1R Q01726 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
SCHEMBL23700309 1.00 CXCL8 (0.53) CXCL8CTSLCTSSCTSKCCKBR
SCHEMBL23700311 1.00 CXCL8 (0.53) CXCL8CTSLCTSSCTSKCCKBR
SCHEMBL23700353 1.00 CXCL8 (0.53) CXCL8CTSLCTSSCTSKCCKBR
SCHEMBL23710057 0.94 CXCL8 (0.48) CXCL8CTSLCTSSCTSKCCKBR
SCHEMBL23710103 0.94 CXCL8 (0.48) CXCL8CTSLCTSSCTSKCCKBR
SCHEMBL23700449 0.94 KISS1R (0.55) CXCL8CTSLCTSSCTSKCCKBR
SCHEMBL23700453 0.94 KISS1R (0.55) CXCL8CTSLCTSSCTSKCCKBR
SCHEMBL23700369 0.94 CCKBR (0.52) CXCL8CTSLCTSSCTSKCCKBR
SCHEMBL23700364 0.94 CCKBR (0.52) CXCL8CTSLCTSSCTSKCCKBR
SCHEMBL23700370 0.94 CCKBR (0.52) CXCL8CTSLCTSSCTSKCCKBR

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 CXCL8 3919/4885CTSL 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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