SCHEMBL3229252

SCHEMBL3229252

[CH2]C(F)(F)CNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 4/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 3/20 0.39
CA14 Q9ULX7 2/20 0.39
APLNR P35414 1/20 0.39
CA9 Q16790 2/20 0.38
EPHX1 P07099 1/20 0.38
CTSK P43235 3/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6595759 0.83 TDP1 (0.48) TDP1MEN1KMT2AGAACA1
SCHEMBL12698678 0.83 TDP1 (0.48) TDP1MEN1KMT2AGAACA1
SCHEMBL843323 0.83 TDP1 (0.48) TDP1MEN1KMT2AGAACA1
SCHEMBL4202727 0.83 TDP1 (0.48) TDP1MEN1KMT2AGAACA1
SCHEMBL28760650 0.80 TDP1 (0.50) TDP1MEN1KMT2AGAACA1
SCHEMBL24699615 0.79 TDP1 (0.42) TDP1MEN1KMT2AGAACA1
SCHEMBL842921 0.79 TDP1 (0.52) TDP1MEN1KMT2AGAACA1
SCHEMBL21065336 0.79 TDP1 (0.52) TDP1MEN1KMT2AGAACA1
SCHEMBL255203 0.79 TDP1 (0.52) TDP1MEN1KMT2AGAACA1
SCHEMBL13771768 0.78 TDP1 (0.44) TDP1MEN1KMT2AGAACA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2010022076-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-25 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 (1 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 TDP1 1474/4885MEN1 1349/4885KMT2A 720/4885

“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.