SCHEMBL23710091

SCHEMBL23710091

COC(=O)CCC[C@H](NC(=O)C1CO1)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 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.49
▸ CTSB P07858 2/20 0.49
▸ OPRM1 P35372 2/20 0.49
▸ KISS1R Q969F8 5/20 0.49
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSH P09668 1/20 0.47
▸ CCKAR P32238 1/20 0.46
▸ CCKBR P32239 1/20 0.46
▸ TACR2 P21452 3/20 0.46
▸ CXCR4 P61073 2/20 0.46
▸ TACR1 P25103 1/20 0.45

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
SCHEMBL23710323 0.98 CAPN1 (0.49) CAPN1CTSBOPRM1KISS1RCTSL
SCHEMBL23710322 0.92 KISS1R (0.45) CAPN1CTSBOPRM1KISS1RCTSL
SCHEMBL23700352 0.92 CTSL (0.52) CAPN1CTSBOPRM1KISS1RCTSL
SCHEMBL23700349 0.92 CTSL (0.52) CAPN1CTSBOPRM1KISS1RCTSL
SCHEMBL23700355 0.92 CTSL (0.52) CAPN1CTSBOPRM1KISS1RCTSL
SCHEMBL23710241 0.90 KISS1R (0.47) CAPN1CTSBOPRM1KISS1RCTSL
SCHEMBL23710071 0.90 KISS1R (0.47) CAPN1CTSBOPRM1KISS1RCTSL
SCHEMBL23710188 0.90 OPRM1 (0.51) CAPN1CTSBOPRM1KISS1RCTSL
SCHEMBL23710234 0.90 KISS1R (0.52) CAPN1CTSBOPRM1KISS1RCTSL
SCHEMBL23710223 0.89 OPRM1 (0.50) CAPN1CTSBOPRM1KISS1RCTSL

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 CAPN1 1912/4885CTSB 1074/4885OPRM1 3964/4885

“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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