SCHEMBL18782168

SCHEMBL18782168

Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc3ccccc3n2)C(=O)N[C@H](C(=O)N[C@H](C#CS(C)(=O)=O)CC(=O)O)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 9/20 0.48
▸ CASP7 P55210 6/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ CASP9 P55211 2/20 0.48
▸ ADAMTS4 O75173 4/20 0.43
▸ CTSL P07711 2/20 0.37
▸ CTSS P25774 2/20 0.37
▸ CTSK P43235 2/20 0.37
▸ NPY5R Q15761 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ MMP9 P14780 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
SCHEMBL18782302 0.90 CASP3 (0.45) CASP3CASP7CASP1CASP9ADAMTS4
SCHEMBL18473182 0.84 ADAMTS4 (0.57) CASP3CASP7CASP1CASP9ADAMTS4
SCHEMBL7890390 0.84 ADAMTS4 (0.57) CASP3CASP7CASP1CASP9ADAMTS4
SCHEMBL18471652 0.83 CASP3 (0.69) CASP3CASP7CASP1CASP9ADAMTS4
SCHEMBL7886597 0.83 CASP3 (0.69) CASP3CASP7CASP1CASP9ADAMTS4
SCHEMBL18781731 0.80 CASP3 (0.73) CASP3CASP7CASP1CASP9
SCHEMBL19015805 0.80 CASP3 (0.58) CASP3CASP7CASP1CASP9ADAMTS4
SCHEMBL7966457 0.77 ADAMTS4 (0.47) CASP3CASP7CASP1CASP9ADAMTS4
SCHEMBL19015948 0.76 NPY5R (0.49) ADAMTS4NPY5RGFERMMP9
SCHEMBL18472361 0.76 ADAMTS4 (0.57) CASP3CASP7CASP1CASP9ADAMTS4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167313-B2 Selective caspase inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2019-01-01 — — US disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 — — 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 (2 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-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 CASP3 2/4885CASP7 7/4885CASP1 1/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 CASP3 2/4885CASP7 7/4885CASP1 1/4885

“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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