SCHEMBL21746358

SCHEMBL21746358

CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSK P43235 10/20 0.41
CTSS P25774 6/20 0.41
CYP2D6 P10635 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
APLNR P35414 1/20 0.38
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL23722683 0.89 CA1 (0.43) CA1CA2CA7MEN1GAA
SCHEMBL27285099 0.89 CA1 (0.43) CA1CA2CA7MEN1GAA
SCHEMBL3484663 0.89 CA1 (0.43) CA1CA2CA7MEN1GAA
SCHEMBL1726663 0.89 CA1 (0.43) CA1CA2CA7MEN1GAA
SCHEMBL1174518 0.89 CA1 (0.43) CA1CA2CA7MEN1GAA
SCHEMBL20456762 0.85 CA1 (0.41) CA1CA2CA7MEN1GAA
SCHEMBL20456733 0.85 CA1 (0.41) CA1CA2CA7MEN1GAA
SCHEMBL20456735 0.85 CA1 (0.41) CA1CA2CA7MEN1GAA
SCHEMBL83699 0.84 CA2 (0.50) CA1CA2CA7MEN1GAA
SCHEMBL90052 0.84 CA2 (0.50) CA1CA2CA7MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2023-11-23 US disclosed
US-11583516-B2 Dash inhibitors, and uses related thereto TRUSTEES OF TUFTS COLLEGE (US) 2023-02-21 US disclosed
US-11559537-B2 Combination therapies using caspase-1 dependent anticancer agents and PGE2 antagonists TRUSTEES OF TUFTS COLLEGE (US) 2023-01-24 US disclosed
US-20210353652-A1 TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO AVACTA LIFE SCIENCES, LIMITED (GB) 2021-11-18 US disclosed
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2020-02-20 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 (5 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-20210353652-A1 TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO CD47, VCAM1, CD44 CA1 1486/4885CA2 959/4885CA7 698/4885
US-11583516-B2 Dash inhibitors, and uses related thereto PCNA, CD2BP2, CCNO CA1 4342/4885CA2 2837/4885CA7 2455/4885
US-11559537-B2 Combination therapies using caspase-1 dependent anticancer agents and PGE2 antagonists CASP1, CASP2, APAF1 CA1 957/4885CA2 1305/4885CA7 2944/4885
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 CA1 957/4885CA2 1305/4885CA7 2944/4885
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 CA1 957/4885CA2 1305/4885CA7 2944/4885

“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.