SCHEMBL7863335

SCHEMBL7863335

Nc1nc(-c2cccs2)n(CC(=O)N[C@@H](CC(=O)O)C(=O)O)c(=O)c1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.45
CASP1 P29466 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CMA1 P23946 2/20 0.36
POLB P06746 1/20 0.35
NTRK1 P04629 1/20 0.35
CTRC Q99895 1/20 0.35

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
SCHEMBL27467028 0.79 ALDH1A1 (0.48) ELANECASP1MAPTKDM4EALDH1A1
SCHEMBL7863330 0.79 ELANE (0.70) ELANECASP1
SCHEMBL7205622 0.76 ELANE (0.59) ELANECASP1
SCHEMBL8200206 0.76 ELANE (0.39) ELANECASP1
SCHEMBL27448341 0.74 ALDH1A1 (0.44) ELANECASP1MAPTKDM4EALDH1A1
SCHEMBL27395657 0.72 CMA1 (0.70) CMA1CTRC
SCHEMBL27417159 0.69 DHODH (0.43) ELANECASP1MAPTKDM4EALDH1A1
SCHEMBL7208083 0.68 ELANE (0.68) ELANECASP1
SCHEMBL27467970 0.67 KDM4E (0.44) CASP1MAPTKDM4EALDH1A1GLA
SCHEMBL6556086 0.66 ELANE (0.80) ELANECMA1CTRC

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-20010003750-A1 N-(pyrimidinyl)-aspartic acid analogs as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-06-14 US claimed

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-20010003750-A1 N-(pyrimidinyl)-aspartic acid analogs as interleukin-1beta converting enzyme inhibitors IL1A, IL1B, IL1RN ELANE 74/4885CASP1 11/4885MAPT 2243/4885

“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.