SCHEMBL23710298

SCHEMBL23710298

COC(=O)CC[C@H](NC(=O)CCl)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.50
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ DPP3 Q9NY33 3/20 0.46
▸ CCKBR P32239 2/20 0.45
▸ CCKAR P32238 1/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ CXCL8 P10145 5/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT5 Q9NXA8 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
SCHEMBL23710297 0.96 OPRM1 (0.47) OPRM1OPRD1OPRK1DPP3CCKBR
SCHEMBL23700249 0.93 OPRM1 (0.53) OPRM1OPRD1OPRK1DPP3CCKBR
SCHEMBL23700247 0.93 OPRM1 (0.53) OPRM1OPRD1OPRK1DPP3CCKBR
SCHEMBL23700246 0.93 OPRM1 (0.53) OPRM1OPRD1OPRK1DPP3CCKBR
SCHEMBL23710310 0.92 OPRM1 (0.48) OPRM1OPRD1OPRK1DPP3CCKBR
SCHEMBL23710218 0.91 OPRM1 (0.47) OPRM1OPRD1DPP3CCKBRCCKAR
SCHEMBL23710097 0.91 OPRM1 (0.47) OPRM1OPRD1DPP3CCKBRCCKAR
SCHEMBL23710104 0.91 OPRM1 (0.47) OPRM1OPRD1DPP3CCKBRCCKAR
SCHEMBL23710224 0.90 CCKBR (0.47) OPRM1OPRD1OPRK1DPP3CCKBR
SCHEMBL23710214 0.88 OPRM1 (0.58) OPRM1OPRD1OPRK1DPP3CCKBR

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 3964/4885OPRD1 4420/4885OPRK1 4201/4885

“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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