SCHEMBL24076642

SCHEMBL24076642

Cc1csc2c1SC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ NFKB1 P19838 5/20 0.37
▸ NFKB2 Q00653 5/20 0.37
▸ RELA Q04206 5/20 0.37
▸ SCN9A Q15858 6/20 0.35
▸ EPHX2 P34913 1/20 0.31
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ PRKDC P78527 1/20 0.30

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
SCHEMBL25584470 0.81 GAA (0.39) GAANFKB1NFKB2RELASCN9A
SCHEMBL24076694 0.80 GAA (0.43) GAANFKB1NFKB2RELAEPHX2
SCHEMBL21307374 0.74 RIPK1 (0.52) SCN9A
SCHEMBL12569080 0.74 RIPK1 (0.52) SCN9A
SCHEMBL24076640 0.71 ACACB (0.32) GAA
SCHEMBL9906480 0.70 GAA (0.50) GAANFKB1NFKB2RELASCN9A
SCHEMBL25584631 0.70 RIPK1 (0.40) GAANFKB1NFKB2RELASCN9A
SCHEMBL25766505 0.70 MEN1 (0.41) GAANFKB1NFKB2RELASCN9A
SCHEMBL25766632 0.70 SCN9A (0.37) GAANFKB1NFKB2RELASCN9A
SCHEMBL25760378 0.70 RIPK1 (0.38) GAANFKB1NFKB2RELASCN9A

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-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-06-01 — — US disclosed
US-20210371430-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-12-02 — — 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-20210371430-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 GAA 2916/4885NFKB1 648/4885NFKB2 999/4885
US-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 GAA 2916/4885NFKB1 648/4885NFKB2 999/4885

“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.

Send feedback