SCHEMBL31433227

SCHEMBL31433227

C[C@H](NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.59
▸ FOLH1 Q04609 7/20 0.51
▸ CAPN1 P07384 2/20 0.49
▸ CASP3 P42574 2/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP2 P42575 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CASP8 Q14790 1/20 0.45
▸ PIN1 Q13526 1/20 0.44
▸ PLG P00747 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42

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
SCHEMBL31433240 0.86 TDP1 (0.59) TDP1FOLH1CAPN1CASP3CASP1
SCHEMBL24858374 0.82 TDP1 (0.73) TDP1FOLH1CAPN1CASP3CASP1
SCHEMBL29439931 0.82 TDP1 (0.73) TDP1FOLH1CAPN1CASP3CASP1
SCHEMBL31433328 0.81 TDP1 (0.75) TDP1FOLH1CAPN1CNR1CA12
SCHEMBL29439904 0.80 TDP1 (0.75) TDP1FOLH1CAPN1CNR1CA12
SCHEMBL9807479 0.77 TDP1 (0.77) TDP1FOLH1CAPN1CNR1CA12
SCHEMBL12019811 0.76 TDP1 (0.63) TDP1FOLH1CAPN1CASP3CASP1
SCHEMBL17385235 0.76 FOLH1 (0.48) TDP1FOLH1CAPN1CASP3CASP1
SCHEMBL13510665 0.76 TDP1 (1.00) TDP1FOLH1CAPN1PRSS1PRSS2
SCHEMBL305707 0.76 TDP1 (1.00) TDP1FOLH1CAPN1PRSS1PRSS2

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 TDP1 4357/4885FOLH1 2388/4885CAPN1 3160/4885

“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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