SCHEMBL833309

SCHEMBL833309

COC(=O)c1cccc(S(C)(=O)=NC(=O)c2cncc(Br)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
MAPT P10636 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
SCHEMBL12751007 1.00 EGFR (0.46) EGFRSMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL835830 0.83 EGFR (0.56) EGFRSMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL832135 0.83 EGFR (0.56) EGFRSMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL835820 0.83 EGFR (0.56) EGFRSMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL12751001 0.83 EGFR (0.42) EGFRSMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL3467673 0.79 EGFR (0.45) EGFRSMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL834792 0.78 EGFR (0.44) EGFRSMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL3467705 0.75 SMN1; SMN2 (0.53) EGFRSMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL16782010 0.75 POLB (0.55) EGFRSMN1; SMN2ALDH1A1HTTPOLB
SCHEMBL20590809 0.74 POLB (0.47) SMN1; SMN2ALDH1A1POLBKMT2AKDM4E

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 11 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
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
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 EGFR 81/4885SMN1; SMN2 4781/4885MAPK1 31/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 EGFR 81/4885SMN1; SMN2 4781/4885MAPK1 31/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 EGFR 81/4885SMN1; SMN2 4781/4885MAPK1 31/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 EGFR 155/4885SMN1; SMN2 4303/4885MAPK1 125/4885

“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.