SCHEMBL21746352

SCHEMBL21746352

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C12CC3(C)CC(C)(CC(O)(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.31
CTSK P43235 3/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTSL P07711 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL21157403 0.97 DPP4 (0.35) DPP4CA12CA14CA1CA2
SCHEMBL21156215 0.90 DPP4 (0.31) DPP4CA12CA14KMT2A
SCHEMBL24025126 0.88 DPP4 (0.38) DPP4CA1CA2CA7KMT2A
SCHEMBL8301768 0.88 DPP4 (0.38) DPP4CA1CA2CA7KMT2A
SCHEMBL21156214 0.79 ALDH1A1 (0.40) DPP4CA12CA14CA1CA2
SCHEMBL21157400 0.78 ALDH1A1 (0.45) DPP4ALDH1A1KMT2A
SCHEMBL21746349 0.75 KMT2A (0.35) CA1CA2CA7KMT2ACTSK
SCHEMBL21746351 0.73 ALDH1A1 (0.36) ALDH1A1KMT2A
SCHEMBL8282023 0.73 CA12 (0.38) CA12CA14CA1CA2CA7
SCHEMBL19747242 0.71 CA12 (0.37) CA12CA14CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20210353652-A1 TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO CD47, VCAM1, CD44 DPP4 1780/4885CA12 1026/4885CA14 750/4885
US-11559537-B2 Combination therapies using caspase-1 dependent anticancer agents and PGE2 antagonists CASP1, CASP2, APAF1 DPP4 1251/4885CA12 3489/4885CA14 2860/4885
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 DPP4 1251/4885CA12 3489/4885CA14 2860/4885

“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.