SCHEMBL23710071

SCHEMBL23710071

COC(=O)CC[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(=O)NCc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 4/20 0.47
▸ CCKBR P32239 2/20 0.45
▸ CCKAR P32238 1/20 0.45
▸ CXCL8 P10145 5/20 0.45
▸ OPRM1 P35372 2/20 0.45
▸ CTSL P07711 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ CAPN1 P07384 2/20 0.44
▸ CTSB P07858 2/20 0.44
▸ TACR1 P25103 2/20 0.44
▸ OPRD1 P41143 1/20 0.43
▸ CTSH P09668 1/20 0.43

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
SCHEMBL23710241 1.00 KISS1R (0.47) KISS1RCCKBRCCKARCXCL8OPRM1
SCHEMBL23700336 0.94 CXCL8 (0.50) KISS1RCCKBRCCKARCXCL8OPRM1
SCHEMBL23700338 0.94 CXCL8 (0.50) KISS1RCCKBRCCKARCXCL8OPRM1
SCHEMBL23700340 0.94 CXCL8 (0.50) KISS1RCCKBRCCKARCXCL8OPRM1
SCHEMBL23710244 0.93 CCKBR (0.51) KISS1RCCKBRCCKARCXCL8OPRM1
SCHEMBL23710072 0.93 CCKBR (0.51) KISS1RCCKBRCCKARCXCL8OPRM1
SCHEMBL23710103 0.93 CXCL8 (0.48) KISS1RCCKBRCCKARCXCL8OPRM1
SCHEMBL23710057 0.93 CXCL8 (0.48) KISS1RCCKBRCCKARCXCL8OPRM1
SCHEMBL23700397 0.92 KISS1R (0.54) KISS1RCXCL8OPRM1TACR1
SCHEMBL23700400 0.92 KISS1R (0.54) KISS1RCXCL8OPRM1TACR1

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 4542/4885CCKBR 4137/4885CCKAR 3815/4885

“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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