SCHEMBL835830

SCHEMBL835830

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nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.56
HTT P42858 4/20 0.52
ALOX15 P16050 1/20 0.52
POLB P06746 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL832135 1.00 EGFR (0.56) EGFRHTTALOX15POLBHCAR2
SCHEMBL835820 1.00 EGFR (0.56) EGFRHTTALOX15POLBHCAR2
SCHEMBL3467705 0.85 SMN1; SMN2 (0.53) EGFRHTTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3467673 0.85 EGFR (0.45) EGFRHTTALOX15POLBHCAR2
SCHEMBL834792 0.84 EGFR (0.44) EGFRHTTALOX15POLBHCAR2
SCHEMBL10182660 0.84 KAT6A (0.54) EGFRPTGS1PTGS2
SCHEMBL833309 0.83 EGFR (0.46) EGFRHTTALOX15POLBMAPK1
SCHEMBL12751007 0.83 EGFR (0.46) EGFRHTTALOX15POLBMAPK1
SCHEMBL835042 0.83 KDR (0.47) EGFRPTGS1PTGS2MAPT
SCHEMBL16782010 0.82 POLB (0.55) EGFRHTTALOX15POLBHCAR2

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 EGFR 81/4885HTT 4564/4885ALOX15 3841/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 EGFR 81/4885HTT 4564/4885ALOX15 3841/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 EGFR 81/4885HTT 4564/4885ALOX15 3841/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 EGFR 155/4885HTT 4309/4885ALOX15 1666/4885

“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.