SCHEMBL12078553

SCHEMBL12078553

CNS(=O)(=O)c1ccccc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.39
NR3C2 P08235 1/20 0.39
PDPK1 O15530 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.36
PTGS2 P35354 1/20 0.36
HTR6 P50406 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
SCHEMBL7819186 0.89 HTR2C (0.51) HTR6
SCHEMBL23647501 0.83 CYP1A2 (0.42) HSD11B1CYP1A2ALDH1A1NR3C2L3MBTL1
SCHEMBL28376787 0.79 KEAP1 (0.48) HSD11B1ALDH1A1CA1CA2TSHR
SCHEMBL23162797 0.79 HSD11B1 (0.48) HSD11B1LMNACA1CA2PTGS2
SCHEMBL4731653 0.77 CYP1A2 (0.55) CYP1A2ALDH1A1NR3C2L3MBTL1LMNA
SCHEMBL2046628 0.76 HSD11B1 (0.45) HSD11B1ALDH1A1L3MBTL1MAPTCA1
SCHEMBL28370185 0.75 CA12 (0.55) CYP1A2ALDH1A1L3MBTL1LMNACA1
SCHEMBL9097473 0.75 HSD11B1 (0.48) HSD11B1LMNACA1CA2TSHR
SCHEMBL23045663 0.75 HSD11B1 (0.44) HSD11B1ALDH1A1L3MBTL1LMNACA1
SCHEMBL4756861 0.75 CA2 (0.48) HSD11B1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1384/4885CYP1A2 4850/4885ALDH1A1 4258/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 HSD11B1 1384/4885CYP1A2 4850/4885ALDH1A1 4258/4885

“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.