SCHEMBL5209649

SCHEMBL5209649

CCS(=O)(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CA1 P00915 11/20 0.44
CA2 P00918 11/20 0.44
CA12 O43570 9/20 0.44
CA9 Q16790 7/20 0.44
CA14 Q9ULX7 2/20 0.44
CA7 P43166 1/20 0.44
EPHX1 P07099 1/20 0.43
MALT1 Q9UDY8 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL1455954 0.86 TDP1 (0.57) TDP1MEN1GAAKMT2AMAOA
SCHEMBL21963755 0.84 MEN1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22015366 0.84 TDP1 (0.47) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22015320 0.84 TDP1 (0.47) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7352046 0.83 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5213233 0.83 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL11897828 0.83 TDP1 (0.46) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5594018 0.82 CA2 (0.45) TDP1MEN1GAAKMT2AMAOA
SCHEMBL6402383 0.81 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL18970801 0.81 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA

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-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 TDP1 4271/4885MEN1 1626/4885GAA 4803/4885
US-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 TDP1 1410/4885MEN1 3915/4885GAA 87/4885

“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.