SCHEMBL23710234

SCHEMBL23710234

COC(=O)CC[C@H](N)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 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.52
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ TACR1 P25103 1/20 0.50
▸ CAPN1 P07384 2/20 0.49
▸ CTSB P07858 2/20 0.49
▸ OPRM1 P35372 2/20 0.49
▸ CXCR4 P61073 2/20 0.47
▸ CTSL P07711 2/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CTSH P09668 1/20 0.47
▸ DPP3 Q9NY33 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 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
SCHEMBL23700286 0.93 KISS1R (0.53) KISS1RNTSR2NTSR1SORT1TACR1
SCHEMBL23700288 0.93 KISS1R (0.53) KISS1RNTSR2NTSR1SORT1TACR1
SCHEMBL23700290 0.93 KISS1R (0.53) KISS1RNTSR2NTSR1SORT1TACR1
SCHEMBL23710188 0.91 OPRM1 (0.51) KISS1RTACR1CAPN1CTSBOPRM1
SCHEMBL23710323 0.91 CAPN1 (0.49) KISS1RTACR1CAPN1CTSBOPRM1
SCHEMBL23710223 0.91 OPRM1 (0.50) KISS1RTACR1CAPN1CTSBOPRM1
SCHEMBL23710091 0.90 CAPN1 (0.49) KISS1RTACR1CAPN1CTSBOPRM1
SCHEMBL23710238 0.89 KISS1R (0.41) KISS1RNTSR2NTSR1SORT1TACR1
SCHEMBL23700235 0.86 KISS1R (0.58) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL23700236 0.86 KISS1R (0.58) KISS1RCTSLCTSSCTSKCTSH

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 4542/4885NTSR2 2963/4885NTSR1 3178/4885

“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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