SCHEMBL23700246

SCHEMBL23700246

O=C(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 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.53
▸ SIRT5 Q9NXA8 2/20 0.49
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ CXCL8 P10145 5/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ CCKBR P32239 3/20 0.48
▸ CCKAR P32238 2/20 0.47
▸ DPP3 Q9NY33 2/20 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
SCHEMBL23700247 1.00 OPRM1 (0.53) OPRM1SIRT5SIRT2CXCL8OPRD1
SCHEMBL23700249 1.00 OPRM1 (0.53) OPRM1SIRT5SIRT2CXCL8OPRD1
SCHEMBL23710298 0.93 OPRM1 (0.50) OPRM1SIRT5SIRT2CXCL8OPRD1
SCHEMBL23700359 0.93 OPRM1 (0.58) OPRM1CXCL8OPRD1OPRK1CCKBR
SCHEMBL23700363 0.93 OPRM1 (0.58) OPRM1CXCL8OPRD1OPRK1CCKBR
SCHEMBL23700366 0.93 OPRM1 (0.58) OPRM1CXCL8OPRD1OPRK1CCKBR
SCHEMBL23710309 0.93 OPRM1 (0.58) OPRM1CXCL8OPRD1OPRK1CCKBR
SCHEMBL23700195 0.92 DPP3 (0.50) OPRM1CXCL8CCKBRCCKARDPP3
SCHEMBL23700197 0.92 DPP3 (0.50) OPRM1CXCL8CCKBRCCKARDPP3
SCHEMBL23700199 0.92 DPP3 (0.50) OPRM1CXCL8CCKBRCCKARDPP3

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 3964/4885SIRT5 3581/4885SIRT2 3605/4885

“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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