SCHEMBL5209522

SCHEMBL5209522

CCSCCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
IDO1 P14902 3/20 0.45
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
EPHX1 P07099 1/20 0.43
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GFER P55789 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL16917207 0.87 TDP1 (0.50) TDP1MEN1KMT2AGAAMAOA
SCHEMBL628883 0.86 TDP1 (0.63) TDP1MEN1KMT2AGAAMAOA
SCHEMBL16329814 0.84 TDP1 (0.47) TDP1MEN1KMT2AGAAMAOA
SCHEMBL25250680 0.84 TDP1 (0.50) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8438785 0.84 TDP1 (0.59) TDP1MEN1KMT2AGAAMAOA
SCHEMBL1082707 0.82 TDP1 (0.56) TDP1MEN1KMT2AGAAMAOA
SCHEMBL32688836 0.82 TDP1 (0.49) TDP1MEN1KMT2AGAAMAOA
SCHEMBL14572922 0.82 TDP1 (0.49) TDP1MEN1KMT2AGAAMAOA
SCHEMBL19165152 0.82 TDP1 (0.49) TDP1MEN1KMT2AGAAMAOA
SCHEMBL322326 0.82 MEN1 (0.50) TDP1MEN1KMT2AGAAMAOA

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 1626/4885KMT2A 680/4885
US-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 TDP1 1410/4885MEN1 3915/4885KMT2A 2212/4885

“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.