SCHEMBL23710076

SCHEMBL23710076

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)NC(C(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.44
▸ SSTR2 P30874 3/20 0.43
▸ KISS1R Q969F8 2/20 0.40
▸ TACR1 P25103 3/20 0.40
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39

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
SCHEMBL23700450 0.91 DPP3 (0.52) DPP3KISS1RTACR1
SCHEMBL23700448 0.91 DPP3 (0.52) DPP3KISS1RTACR1
SCHEMBL23710074 0.91 DPP3 (0.52) DPP3KISS1RTACR1
SCHEMBL23710249 0.84 KISS1R (0.48) DPP3KISS1RTACR1
SCHEMBL23700272 0.82 DPP3 (0.53) DPP3KISS1RTACR1
SCHEMBL23700273 0.82 DPP3 (0.53) DPP3KISS1RTACR1
SCHEMBL23700467 0.81 DPP3 (0.52) DPP3KISS1RTACR1
SCHEMBL23700466 0.81 DPP3 (0.52) DPP3KISS1RTACR1
SCHEMBL31599476 0.78 KISS1R (0.54) DPP3KISS1RTACR1
SCHEMBL30466184 0.77 KISS1R (0.50) DPP3KISS1RTACR1

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 DPP3 116/4885SSTR2 4219/4885KISS1R 4542/4885

“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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