SCHEMBL17429415

SCHEMBL17429415

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1cc(CF)nn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 12/20 0.50
CASP6 P55212 3/20 0.44
CASP8 Q14790 3/20 0.44
CASP1 P29466 6/20 0.44
CASP7 P55210 4/20 0.42
CASP9 P55211 1/20 0.42
ELANE P08246 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
SCHEMBL20099199 0.90 CASP3 (0.50) CASP3CASP6CASP8CASP1CASP7
SCHEMBL7745213 0.89 CASP3 (0.64) CASP3CASP6CASP8CASP1CASP7
SCHEMBL24213871 0.80 CASP3 (0.56) CASP3CASP6CASP8CASP1CASP7
SCHEMBL17494194 0.80 CASP3 (0.56) CASP3CASP6CASP8CASP1CASP7
SCHEMBL14646635 0.80 CASP3 (0.56) CASP3CASP6CASP8CASP1CASP7
Naphthalene SCHEMBL7418235 0.78 CASP1 (0.55) CASP3CASP1
SCHEMBL14070409 0.77 CASP3 (0.56) CASP3CASP8CASP1CASP7CASP9
SCHEMBL7472606 0.76 CASP3 (0.56) CASP3CASP8CASP1CASP7CASP9
SCHEMBL614741 0.76 CASP3 (0.62) CASP3CASP6CASP8CASP1CASP7
SCHEMBL29384302 0.76 CASP3 (0.60) CASP3CASP6CASP8CASP1CASP7

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-9352010-B2 Treatment of HIV-1 infection and AIDS THE J. DAVID GLADSTONE INSTITUTES (US) 2016-05-31 US disclosed
US-20160008420-A1 Treatment Of HIV-1 Infection And AIDS THE J. DAVID GLADSTONE INSTITUTES 2016-01-14 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-20160008420-A1 Treatment Of HIV-1 Infection And AIDS CD4, CASP1, PYCARD CASP3 18/4885CASP6 22/4885CASP8 7/4885

“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.