SCHEMBL23700349

SCHEMBL23700349

NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCC(=O)O)NC(=O)C1CO1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52
▸ KISS1R Q969F8 4/20 0.51
▸ OPRM1 P35372 2/20 0.50
▸ CAPN1 P07384 2/20 0.49
▸ CTSB P07858 2/20 0.49
▸ CCKBR P32239 2/20 0.49
▸ CCKAR P32238 1/20 0.49
▸ TACR1 P25103 1/20 0.49
▸ CXCL8 P10145 5/20 0.48
▸ CXCR4 P61073 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
SCHEMBL23700352 1.00 CTSL (0.52) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL23700355 1.00 CTSL (0.52) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL23710323 0.93 CAPN1 (0.49) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL23700233 0.92 KISS1R (0.58) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL23700236 0.92 KISS1R (0.58) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL23700235 0.92 KISS1R (0.58) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL23710091 0.92 CAPN1 (0.49) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL23700224 0.92 CTSL (0.55) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL23700221 0.92 CTSL (0.55) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL23700226 0.92 CTSL (0.55) CTSLCTSSCTSKCTSHKISS1R

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 CTSL 882/4885CTSS 1613/4885CTSK 1370/4885

“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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