SCHEMBL7745119

SCHEMBL7745119

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 15/20 0.67
CASP6 P55212 13/20 0.67
CASP8 Q14790 13/20 0.67
CASP1 P29466 5/20 0.57

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
SCHEMBL8247253 1.00 CASP3 (0.67) CASP3CASP6CASP8CASP1
SCHEMBL645918 0.92 CASP3 (0.57) CASP3CASP6CASP8CASP1
SCHEMBL7367055 0.92 CASP3 (0.57) CASP3CASP6CASP8CASP1
SCHEMBL3056903 0.92 CASP3 (0.57) CASP3CASP6CASP8CASP1
SCHEMBL18863053 0.90 CASP3 (0.55) CASP3CASP6CASP8CASP1
SCHEMBL12946446 0.88 CASP1 (0.59) CASP3CASP6CASP8CASP1
SCHEMBL8402109 0.88 CASP1 (0.59) CASP3CASP6CASP8CASP1
SCHEMBL949009 0.88 CASP1 (0.59) CASP3CASP6CASP8CASP1
SCHEMBL13197161 0.88 CASP1 (0.59) CASP3CASP6CASP8CASP1
SCHEMBL647007 0.86 CASP3 (0.50) CASP3CASP6CASP8CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956260-B1 Treatment of HIV-1 infection and AIDS THE J. DAVID GLADSTONE INSTITUTES (US) 2018-05-01 US disclosed
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
US-20150343011-A1 Treatment Of HIV-1 Infection And AIDS THE J. DAVID GLADSTONE INSTITUTES 2015-12-03 US disclosed
US-20100040607-A1 Combination Therapy with Inhibitors of HMGB and Caspase for the Treatment of Inflammatory Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 US disclosed
US-20100040607-A1 Combination Therapy with Inhibitors of HMGB and Caspase for the Treatment of Inflammatory Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 US disclosed
WO-2006124477-A2 COMBINATION THERAPY WITH INHIBITORS OF HMGB AND CASPASE FOR THE TREATMENT OF INFLAMMATORY DISEASES THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2006-11-23 WO disclosed
WO-2004002401-A2 CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS CYTOVIA, INC. (US) 2004-01-08 WO disclosed
US-6620782-B1 Substituted 2-aminobenzamide caspase inhibitors and the use thereof CYTOVIA, INC. 2003-09-16 US disclosed
US-6620782-B1 Substituted 2-aminobenzamide caspase inhibitors and the use thereof CYTOVIA, INC. 2003-09-16 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 (3 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-20150343011-A1 Treatment Of HIV-1 Infection And AIDS CD4, CASP1, PYCARD CASP3 18/4885CASP6 22/4885CASP8 7/4885
US-20100040607-A1 Combination Therapy with Inhibitors of HMGB and Caspase for the Treatment of Inflammatory Diseases HMGB2, HMGB3, HMGB1 CASP3 61/4885CASP6 18/4885CASP8 41/4885
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.