SCHEMBL12077946

SCHEMBL12077946

[2H]C1([2H])CNC(=O)c2ccc(OS(=O)(=O)C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
PARP10 Q53GL7 7/20 0.37
PARP11 Q9NR21 6/20 0.37
PARP1 P09874 2/20 0.37
GRM5 P41594 2/20 0.36
CHRM1 P11229 3/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
DRD4 P21917 2/20 0.36
HTR1D P28221 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL1417460 0.86 PARP10 (0.51) PARP10PARP11PARP1GRM5
SCHEMBL12077204 0.84 PARP11 (0.43) HSD11B1PARP10PARP11PARP1GRM5
SCHEMBL18305057 0.80 PARP10 (0.57) HSD11B1PARP10PARP11PARP1CHRM1
SCHEMBL12077584 0.79 RYR2 (0.51) PARP10PARP11GRM5HTR2C
SCHEMBL31443843 0.72 MAOA (0.54) HSD11B1GRM5CHRM1DRD2DRD3
SCHEMBL4157926 0.71 MAOB (0.57) GRM5DRD2DRD3HTR1D
SCHEMBL12078460 0.70 PARP10 (0.44) PARP10PARP11PARP1GRM5DRD2
SCHEMBL2089994 0.69 DRD2 (0.42) HSD11B1CHRM1DRD2DRD3DRD4
SCHEMBL1471642 0.69 MAOB (0.55) GRM5
SCHEMBL16346860 0.69 PARP10 (0.54) PARP10PARP11PARP1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2014-02-20 US disclosed
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 EP disclosed
US-8440652-B2 MST1 kinase inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
WO-2012121992-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-09-13 WO disclosed
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-09-06 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-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 HSD11B1 1384/4885PARP10 1435/4885PARP11 1232/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 HSD11B1 1384/4885PARP10 1435/4885PARP11 1232/4885

“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.