SCHEMBL23710223

SCHEMBL23710223

COC(=O)CC[C@H](NC(=O)CF)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.50
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CTSH P09668 1/20 0.50
▸ CCKBR P32239 2/20 0.49
▸ CCKAR P32238 1/20 0.49
▸ KISS1R Q969F8 4/20 0.49
▸ CAPN1 P07384 2/20 0.48
▸ CTSB P07858 2/20 0.48
▸ CXCR4 P61073 3/20 0.48
▸ TACR1 P25103 1/20 0.47
▸ IL23R Q5VWK5 1/20 0.46
▸ CXCL8 P10145 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
SCHEMBL23710188 0.94 OPRM1 (0.51) OPRM1CTSLCTSSCTSKCTSH
SCHEMBL23700261 0.93 CTSL (0.55) OPRM1CTSLCTSSCTSKCTSH
SCHEMBL23700263 0.93 CTSL (0.55) OPRM1CTSLCTSSCTSKCTSH
SCHEMBL23700265 0.93 CTSL (0.55) OPRM1CTSLCTSSCTSKCTSH
SCHEMBL23710323 0.92 CAPN1 (0.49) OPRM1CTSLCTSSCTSKCTSH
SCHEMBL23710234 0.91 KISS1R (0.52) OPRM1CTSLCTSSCTSKCTSH
SCHEMBL23710225 0.90 CTSL (0.41) OPRM1CTSLCTSSCTSKCTSH
SCHEMBL23710091 0.89 CAPN1 (0.49) OPRM1CTSLCTSSCTSKCTSH
SCHEMBL23710300 0.88 CTSL (0.51) OPRM1CTSLCTSSCTSKCTSH
SCHEMBL23700224 0.88 CTSL (0.55) OPRM1CTSLCTSSCTSKCTSH

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 OPRM1 3964/4885CTSL 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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