SCHEMBL10072965

SCHEMBL10072965

CC(C)(C)OC(=O)NNCC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PPARA Q07869 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABCC3 O15438 1/20 0.45
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
NR3C1 P04150 1/20 0.45

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
SCHEMBL14535782 0.89 SYK (0.52) SYKMEN1KMT2AALDH1A1MAPK1
SCHEMBL8238491 0.88 SYK (0.61) SYKMEN1KMT2AALDH1A1MAPK1
SCHEMBL644883 0.86 SYK (0.50) SYKMEN1KMT2AALDH1A1MAPK1
SCHEMBL8180866 0.83 SYK (0.56) SYKMEN1KMT2AALDH1A1MAPK1
SCHEMBL8167921 0.83 SYK (0.56) SYKMEN1KMT2AALDH1A1MAPK1
SCHEMBL25391654 0.83 SYK (0.56) SYKMEN1KMT2AALDH1A1MAPK1
SCHEMBL421286 0.83 SYK (0.61) SYKMEN1KMT2AALDH1A1CA12
SCHEMBL2141676 0.82 ALDH1A1 (0.51) SYKMEN1KMT2AALDH1A1MAPK1
SCHEMBL6046926 0.81 SYK (0.54) SYKMEN1KMT2AALDH1A1MAPK1
SCHEMBL27190527 0.81 SMN1; SMN2 (0.57) SYKMEN1KMT2AL3MBTL1CA12

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-20240217928-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-07-04 US disclosed
CN-117813284-A Halogenated acethydrazide as AEP inhibitor 豪夫迈·罗氏有限公司 2024-04-02 CN disclosed
WO-2023006645-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-02-02 WO disclosed
WO-2018234483-A1 TUNABLE PROBES FOR SELECTIVE PROTEIN LABELLING AND ENZYME INHIBITION AAA CHEMISTRY APS (DK) 2018-12-27 WO disclosed
US-20120010161-A1 NOVEL AZAPEPTIDE OR AZAPEPTIDOMIMETIC COMPOUNDS INHIBITING BCRP AND/OR P-GP CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-01-12 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 (2 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-20120010161-A1 NOVEL AZAPEPTIDE OR AZAPEPTIDOMIMETIC COMPOUNDS INHIBITING BCRP AND/OR P-GP ABCB1, ABCB11, ABCC1 SYK 1230/4885MEN1 4401/4885KMT2A 1829/4885
US-20240217928-A1 HALOACETHYDRAZIDES USEFUL AS AEP INHIBITORS NHERF1, ENPP1, ATP6AP1 SYK 4755/4885MEN1 1657/4885KMT2A 2938/4885

“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.