SCHEMBL1770819

SCHEMBL1770819

O=S(=O)(CCCCl)N1CCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
TSHR P16473 3/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
POLB P06746 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP11B1 P15538 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL16235813 0.95 EPHX2 (0.38) EPHX2TSHRKMT2AALDH1A1HPGD
SCHEMBL4196510 0.81 EPHX2 (0.33) EPHX2ALDH1A1KDM4ECYP17A1CYP21A2
SCHEMBL1667599 0.81 ALDH1A1 (0.49) EPHX2TSHRALDH1A1KDM4EPOLB
SCHEMBL3450321 0.81 EPHX2 (0.33) EPHX2KDM4ECYP17A1CYP21A2CYP11B1
SCHEMBL1667133 0.81 L3MBTL1 (0.45) EPHX2KMT2AALDH1A1KDM4EPOLB
SCHEMBL24571244 0.78 EPHX2 (0.40) EPHX2ALDH1A1KDM4EMAPT
SCHEMBL13411082 0.78 TSHR (0.45) EPHX2TSHRKMT2AALDH1A1HPGD
SCHEMBL7383424 0.78 CYP17A1 (0.33) EPHX2ALDH1A1KDM4ECYP17A1CYP21A2
SCHEMBL16235574 0.77 CTSS (0.36) EPHX2KDM4ECYP17A1CYP21A2CYP11B1
SCHEMBL4075718 0.77 RAB9A (0.41) EPHX2TSHRALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859574-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2014-10-14 US disclosed
US-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2013-11-21 US disclosed
US-8519129-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
CN-102112467-A Compounds and compositions as kinase inhibitors IRM LLC 2011-06-29 CN disclosed
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-12 US disclosed
EP-2318392-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-11 EP disclosed
WO-2010002655-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-01-07 WO disclosed
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 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 (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-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IGF1R, IRS1, IP6K1 EPHX2 3445/4885TSHR 2329/4885KMT2A 2029/4885
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK EPHX2 3306/4885TSHR 2247/4885KMT2A 2763/4885

“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.