SCHEMBL8324848

SCHEMBL8324848

CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC3CC(O)(CC(O)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CTSS P25774 4/20 0.33
CTSK P43235 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
HSD11B1 P28845 1/20 0.32
IDO1 P14902 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL21747114 0.93 KMT2A (0.33) DPP4KMT2AMEN1GAAMAPK1
SCHEMBL2549745 0.88 KMT2A (0.39) DPP4KMT2AMEN1GAAMAPK1
SCHEMBL21156214 0.88 ALDH1A1 (0.40) DPP4KMT2AMEN1MAPK1HDAC4
SCHEMBL2110140 0.88 KMT2A (0.39) DPP4KMT2AMEN1GAAMAPK1
SCHEMBL27218038 0.88 KMT2A (0.39) DPP4KMT2AMEN1GAAMAPK1
SCHEMBL24815908 0.88 KMT2A (0.39) DPP4KMT2AMEN1GAAMAPK1
SCHEMBL8271718 0.88 KMT2A (0.39) DPP4KMT2AMEN1GAAMAPK1
SCHEMBL27218008 0.88 KMT2A (0.39) DPP4KMT2AMEN1GAAMAPK1
SCHEMBL30170170 0.87 KMT2A (0.41) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL18631592 0.87 KMT2A (0.41) KMT2AMEN1GAAMAPK1HDAC4

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 7 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
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2019-07-11 US disclosed
WO-2004037181-A2 GLYCINENITRILE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-06 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 (6 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 1780/4885KMT2A 2451/4885MEN1 3526/4885
US-11583516-B2 Dash inhibitors, and uses related thereto PCNA, CD2BP2, CCNO DPP4 421/4885KMT2A 1719/4885MEN1 2512/4885
US-11559537-B2 Combination therapies using caspase-1 dependent anticancer agents and PGE2 antagonists CASP1, CASP2, APAF1 DPP4 1251/4885KMT2A 3963/4885MEN1 3338/4885
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 DPP4 1251/4885KMT2A 3963/4885MEN1 3338/4885
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 DPP4 1251/4885KMT2A 3963/4885MEN1 3338/4885
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO CD2BP2, PCNA, CD2 DPP4 402/4885KMT2A 1488/4885MEN1 2401/4885

“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.