SCHEMBL21137602

SCHEMBL21137602

CC[C@H](NC(=O)[C@H](CCC(=O)OC)NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC)C(=O)N[C@H](CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ CTSK P43235 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ REN P00797 1/20 0.40
▸ APC P25054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40

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
SCHEMBL21398660 0.86 CASP3 (0.52) CASP1CASP3CASP7CASP9MEN1
SCHEMBL15359185 0.80 CASP3 (0.52) CASP1CASP3CASP7CASP9MEN1
SCHEMBL21137611 0.80 CASP3 (0.52) CASP1CASP3CASP7CASP9MEN1
SCHEMBL17450056 0.80 CASP3 (0.52) CASP1CASP3CASP7CASP9MEN1
SCHEMBL21137607 0.80 CASP3 (0.52) CASP1CASP3CASP7CASP9MEN1
SCHEMBL30480141 0.80 CTRB1 (0.54) FOLH1ALDH1A1FNTAFNTBCYP3A4
SCHEMBL31377319 0.79 MAPT (0.49) FOLH1ALDH1A1CYP3A4MAPK1
SCHEMBL8214631 0.78 CASP1 (0.57) FOLH1CASP1CASP3CASP7CASP9
SCHEMBL9683154 0.77 MAPT (0.51) CASP1ALDH1A1CYP3A4MAPK1
SCHEMBL7258336 0.77 KYNU (0.52) CASP1CASP3CASP7CASP9ALDH1A1

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-10328161-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-06-25 — — 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-10328161-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof GFPT1, QPCT, GLB1 FOLH1 521/4885CASP1 384/4885CASP3 1470/4885

“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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