SCHEMBL21702178

SCHEMBL21702178

O=C(NCc1ccccc1)C(=O)C(C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 1/20 0.54
PYGL P06737 1/20 0.52

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
SCHEMBL23506473 1.00 CYP51A1 (0.54) CYP51A1PYGL
SCHEMBL21702171 0.96 CYP51A1 (0.52) CYP51A1PYGL
SCHEMBL23506504 0.96 CYP51A1 (0.52) CYP51A1PYGL
SCHEMBL21702293 0.94 CYP51A1 (0.46) CYP51A1
SCHEMBL23506432 0.94 CYP51A1 (0.46) CYP51A1
SCHEMBL21702055 0.92 CYP51A1 (0.51) CYP51A1PYGL
SCHEMBL23506529 0.91 PYGL (0.53) CYP51A1PYGL
SCHEMBL21702185 0.91 PYGL (0.53) CYP51A1PYGL
SCHEMBL23506345 0.90 CYP51A1 (0.45) CYP51A1
SCHEMBL21702296 0.90 CYP51A1 (0.45) CYP51A1

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-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US disclosed
WO-2020030143-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 中国科学院上海药物研究所 2020-02-13 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 (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-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS CYP51A1 33/4885PYGL 1162/4885

“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.