SCHEMBL31433347

SCHEMBL31433347

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.56
▸ CAPN1 P07384 2/20 0.56
▸ CTSB P07858 2/20 0.56
▸ IL23R Q5VWK5 1/20 0.55
▸ CXCR4 P61073 7/20 0.54
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ SORT1 Q99523 1/20 0.51
▸ APLNR P35414 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ DPP3 Q9NY33 1/20 0.49
▸ C5AR1 P21730 1/20 0.48

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
SCHEMBL31433316 0.96 CAPN1 (0.61) KISS1RCAPN1CTSBIL23RCXCR4
SCHEMBL31433256 0.91 IL23R (0.62) IL23RCXCR4C5AR1
SCHEMBL29463744 0.90 KISS1R (0.60) KISS1RCAPN1CTSBIL23RCXCR4
SCHEMBL31433287 0.88 KISS1R (0.59) KISS1RIL23RCXCR4MAPK8MAPK9
SCHEMBL38652302 0.88 CXCR4 (0.59) KISS1RCAPN1CTSBCXCR4NTSR2
SCHEMBL29463717 0.87 CAPN1 (0.63) KISS1RCAPN1CTSBIL23RCXCR4
SCHEMBL34461092 0.87 CXCR4 (0.59) KISS1RCAPN1CTSBCXCR4NTSR2
SCHEMBL31620052 0.87 C5AR1 (0.57) KISS1RIL23RCXCR4NTSR2NTSR1
SCHEMBL30780077 0.85 CTSL (0.55) KISS1RCAPN1CTSBCXCR4MAPK8
SCHEMBL34461111 0.85 DPP3 (0.56) KISS1RCAPN1CTSBIL23RCXCR4

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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2025-03-06 — — 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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E MICA, CD74, HLA-DRB1 KISS1R 1078/4885CAPN1 3160/4885CTSB 337/4885

“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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