SCHEMBL23700340

SCHEMBL23700340

Cc1ccc(CNC(=O)C(CCCNC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CCCCN2C(=O)[C@H](CCC(=O)O)NC(=O)C2CO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 8/20 0.50
▸ KISS1R Q969F8 4/20 0.50
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CCKBR P32239 2/20 0.48
▸ CCKAR P32238 1/20 0.48
▸ CTSH P09668 1/20 0.48
▸ OPRM1 P35372 2/20 0.47
▸ CXCR4 P61073 1/20 0.46

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
SCHEMBL23700336 1.00 CXCL8 (0.50) CXCL8KISS1RCTSLCTSSCTSK
SCHEMBL23700338 1.00 CXCL8 (0.50) CXCL8KISS1RCTSLCTSSCTSK
SCHEMBL23710241 0.94 KISS1R (0.47) CXCL8KISS1RCTSLCTSSCTSK
SCHEMBL23710071 0.94 KISS1R (0.47) CXCL8KISS1RCTSLCTSSCTSK
SCHEMBL23700400 0.94 KISS1R (0.54) CXCL8KISS1ROPRM1
SCHEMBL23700397 0.94 KISS1R (0.54) CXCL8KISS1ROPRM1
SCHEMBL23700353 0.93 CXCL8 (0.53) CXCL8KISS1RCTSLCTSSCTSK
SCHEMBL23700313 0.93 CXCL8 (0.53) CXCL8KISS1RCTSLCTSSCTSK
SCHEMBL23700311 0.93 CXCL8 (0.53) CXCL8KISS1RCTSLCTSSCTSK
SCHEMBL23700309 0.93 CXCL8 (0.53) CXCL8KISS1RCTSLCTSSCTSK

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 3919/4885KISS1R 4542/4885CTSL 882/4885

“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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