SCHEMBL23700236

SCHEMBL23700236

CC(=O)NC(CCC(=O)O)C(=O)N1CCCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(N)=O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.58
▸ CTSL P07711 3/20 0.57
▸ CTSS P25774 3/20 0.57
▸ CTSK P43235 3/20 0.57
▸ CTSH P09668 1/20 0.57
▸ CCKBR P32239 7/20 0.55
▸ CXCL8 P10145 5/20 0.55

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
SCHEMBL23700235 1.00 KISS1R (0.58) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL23700233 1.00 KISS1R (0.58) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL23710293 0.93 KISS1R (0.57) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL23700224 0.93 CTSL (0.55) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL23700221 0.93 CTSL (0.55) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL23700226 0.93 CTSL (0.55) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL23700263 0.92 CTSL (0.55) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL23700349 0.92 CTSL (0.52) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL23700265 0.92 CTSL (0.55) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL23700261 0.92 CTSL (0.55) KISS1RCTSLCTSSCTSKCTSH

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 KISS1R 4542/4885CTSL 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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