SCHEMBL834792

SCHEMBL834792

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.44
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 3/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
PTGS1 P23219 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
PTGS2 P35354 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
PMP22 Q01453 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CXCL8 P10145 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
SCHEMBL835820 0.84 EGFR (0.56) EGFRALDH1A1HTTMAPK1ALOX15
SCHEMBL835830 0.84 EGFR (0.56) EGFRALDH1A1HTTMAPK1ALOX15
SCHEMBL832135 0.84 EGFR (0.56) EGFRALDH1A1HTTMAPK1ALOX15
SCHEMBL3467673 0.80 EGFR (0.45) EGFRALDH1A1HTTMAPK1ALOX15
SCHEMBL833309 0.78 EGFR (0.46) EGFRALDH1A1HTTMAPK1ALOX15
SCHEMBL12751007 0.78 EGFR (0.46) EGFRALDH1A1HTTMAPK1ALOX15
SCHEMBL12751001 0.75 EGFR (0.42) EGFRALDH1A1HTTMAPK1MAPT
SCHEMBL3467705 0.73 SMN1; SMN2 (0.53) EGFRALDH1A1HTTMAPK1MAPT
SCHEMBL835127 0.73 AKR1C3 (0.44) ALDH1A1MAPK1MAPTLMNAPTGS1
SCHEMBL16782010 0.73 POLB (0.55) EGFRALDH1A1HTTALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 EGFR 81/4885ALDH1A1 2605/4885HTT 4564/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 EGFR 155/4885ALDH1A1 2320/4885HTT 4309/4885

“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.