SCHEMBL21746349

SCHEMBL21746349

CC12CC3(C)CC(F)(C1)CC([C@H](NC(=O)OC(C)(C)C)C(=O)O)(C2)C3

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CTSK P43235 7/20 0.32
CTSS P25774 6/20 0.32
APLNR P35414 1/20 0.31
CTSL P07711 2/20 0.30
CTSB P07858 1/20 0.30
CYP2D6 P10635 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
SCHEMBL23177048 0.92 KMT2A (0.40) KMT2AMEN1GAACA1CA2
SCHEMBL27017190 0.92 KMT2A (0.40) KMT2AMEN1GAACA1CA2
SCHEMBL8301768 0.86 DPP4 (0.38) KMT2AMEN1GAARAB9ACA1
SCHEMBL24025126 0.86 DPP4 (0.38) KMT2AMEN1GAARAB9ACA1
SCHEMBL21156215 0.82 DPP4 (0.31) KMT2A
SCHEMBL21747113 0.79 KMT2A (0.35) KMT2AMEN1GAACA1CA2
SCHEMBL8301698 0.79 KMT2A (0.35) KMT2AMEN1GAACA1CA2
SCHEMBL21157404 0.78 KMT2A (0.34) KMT2AMEN1GAACA1CA2
SCHEMBL23176833 0.78 KMT2A (0.38) KMT2AMEN1GAACA1CA2
SCHEMBL21157397 0.77 KMT2A (0.39) KMT2AMEN1GAACTSKCTSS

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 4 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-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 (4 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 KMT2A 2451/4885MEN1 3526/4885GAA 392/4885
US-11559537-B2 Combination therapies using caspase-1 dependent anticancer agents and PGE2 antagonists CASP1, CASP2, APAF1 KMT2A 3963/4885MEN1 3338/4885GAA 2492/4885
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 KMT2A 3963/4885MEN1 3338/4885GAA 2492/4885
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 KMT2A 3963/4885MEN1 3338/4885GAA 2492/4885

“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.