SCHEMBL19040100

SCHEMBL19040100

CC(=O)C(F)(F)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
APLNR P35414 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA12 O43570 4/20 0.37
CA9 Q16790 2/20 0.37
EPHX1 P07099 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CA7 P43166 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL24699615 0.85 TDP1 (0.42) TDP1MEN1KMT2AGAAMAOA
SCHEMBL17141089 0.85 MEN1 (0.46) TDP1MEN1KMT2AGAAMAOA
SCHEMBL18337645 0.83 MEN1 (0.45) TDP1MEN1KMT2AGAAMAOA
SCHEMBL843323 0.82 TDP1 (0.48) TDP1MEN1KMT2AGAAMAOA
SCHEMBL4202727 0.82 TDP1 (0.48) TDP1MEN1KMT2AGAAMAOA
SCHEMBL12698678 0.82 TDP1 (0.48) TDP1MEN1KMT2AGAAMAOA
Lithium Ion SCHEMBL31057184 0.81 TDP1 (0.42) TDP1MEN1KMT2AGAAMAOA
Potassium Ion SCHEMBL18337646 0.81 TDP1 (0.42) TDP1MEN1KMT2AGAAMAOA
SCHEMBL17141202 0.79 MEN1 (0.44) TDP1MEN1KMT2AGAAMAOA
SCHEMBL28760650 0.78 TDP1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 TDP1 1757/4885MEN1 775/4885KMT2A 1283/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 TDP1 1757/4885MEN1 775/4885KMT2A 1283/4885

“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.