SCHEMBL833396

SCHEMBL833396

COC(=O)CCc1ccc([S+](C)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
EPHX2 P34913 1/20 0.45
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
F2RL1 P55085 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL21321560 0.85 IDO1 (0.45) IDO1EPHX2CYP4F2CYP4A11ADRB2
SCHEMBL22922181 0.84 CYP4F2 (0.59) IDO1EPHX2CYP4F2CYP4A11ADRB2
SCHEMBL6560775 0.83 CYP4F2 (0.56) EPHX2CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL8355016 0.83 IDO1 (0.43) IDO1EPHX2CYP4F2CYP4A11ADRB2
SCHEMBL3150821 0.81 FFAR1 (0.55) ALDH1A1LMNA
SCHEMBL1410420 0.77 CYP4A11 (0.56) IDO1EPHX2CYP4F2CYP4A11ADRB2
SCHEMBL3679325 0.77 CYP4A11 (0.72) IDO1EPHX2CYP4F2CYP4A11ADRB2
SCHEMBL8508610 0.77 CYP4F2 (0.53) IDO1EPHX2CYP4F2CYP4A11ADRB2
SCHEMBL2569441 0.77 L3MBTL1 (0.55) IDO1EPHX2CYP4F2CYP4A11ADRB2
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL95254 0.77 HDAC2 (0.53) IDO1CYP4F2CYP4A11ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
WO-2010078393-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-08 WO disclosed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 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 (4 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 IDO1 865/4885EPHX2 2736/4885CYP4F2 3461/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 IDO1 865/4885EPHX2 2736/4885CYP4F2 3461/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 IDO1 865/4885EPHX2 2736/4885CYP4F2 3461/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 IDO1 584/4885EPHX2 2417/4885CYP4F2 3027/4885

“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.