SCHEMBL17264148

SCHEMBL17264148

C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.85
CASP6 P55212 18/20 0.85
CASP8 Q14790 18/20 0.85

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
SCHEMBL17264147 0.92 CASP3 (1.00) CASP3CASP6CASP8
Emricasan SCHEMBL29714117 0.88 CASP3 (1.00) CASP3CASP6CASP8
Emricasan SCHEMBL3288801 0.88 CASP3 (1.00) CASP3CASP6CASP8
SCHEMBL17264146 0.88 CASP3 (0.87) CASP3CASP6CASP8
Emricasan SCHEMBL2724694 0.88 CASP3 (1.00) CASP3CASP6CASP8
SCHEMBL20750654 0.86 CASP3 (0.73) CASP3CASP6CASP8
SCHEMBL17264153 0.85 CASP3 (0.83) CASP3CASP6CASP8
SCHEMBL19785120 0.84 CASP3 (0.92) CASP3CASP6CASP8
SCHEMBL22026276 0.83 CASP3 (0.89) CASP3CASP6CASP8
SCHEMBL21180991 0.82 CASP3 (0.88) CASP3CASP6CASP8

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-20230364054-A1 METHODS FOR TREATING COVID-19 MEDSTAR HEALTH, INC. 2023-11-16 US disclosed
US-11654132-B2 Methods for treating COVID-19 MEDSTAR HEALTH, INC. (US) 2023-05-23 US disclosed
US-20220395488-A1 METHODS FOR TREATING COVID-19 MEDSTAR HEALTH, INC. 2022-12-15 US disclosed
EP-3444011-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH EMRICASAN Conatus Pharmaceuticals, Inc. (US) 2019-02-20 EP disclosed
US-20190022043-A1 METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE CONATUS PHARMACEUTICALS INC (US) 2019-01-24 US disclosed
US-20170128519-A1 CASPASE INHIBITORS FOR THE TREATMENT OF COLORECTAL CANCER CONATUS PHARMACEUTICALS INC (US) 2017-05-11 US disclosed
WO-2017079566-A1 CASPASE INHIBITORS FOR USE IN THE TREATMENT OF LIVER CANCER CONATUS PHARMACEUTICALS, INC. (US) 2017-05-11 WO disclosed
US-20170100448-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS CONATUS PHARMACEUTICALS INC (US) 2017-04-13 US disclosed
US-20160213736-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE CONATUS PHARMACEUTICALS, INC. 2016-07-28 US disclosed
WO-2015175381-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS CONATUS PHARMACEUTICALS, INC. (US) 2015-11-19 WO 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 (7 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-20190022043-A1 METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE CASP1, CASP5, CASP2 CASP3 5/4885CASP6 4/4885CASP8 11/4885
US-20170100448-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS CASP1, CASP2, CASP5 CASP3 6/4885CASP6 10/4885CASP8 8/4885
US-20170128519-A1 CASPASE INHIBITORS FOR THE TREATMENT OF COLORECTAL CANCER CASP3, CASP1, CASP7 CASP3 1/4885CASP6 6/4885CASP8 12/4885
US-20160213736-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE CASP1, SERPINB1, CASP2 CASP3 8/4885CASP6 12/4885CASP8 15/4885
US-20220395488-A1 METHODS FOR TREATING COVID-19 CASP1, IL1B, PYCARD CASP3 32/4885CASP6 29/4885CASP8 20/4885
US-20230364054-A1 METHODS FOR TREATING COVID-19 CASP1, IL1B, PYCARD CASP3 32/4885CASP6 29/4885CASP8 20/4885
US-11654132-B2 Methods for treating COVID-19 CASP1, IL1B, PYCARD CASP3 32/4885CASP6 29/4885CASP8 20/4885

“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.