SCHEMBL3467705

SCHEMBL3467705

CS(=O)(=NC(=O)c1cncc(Br)c1)c1ccc(NC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
EGFR P00533 5/20 0.48
HTT P42858 5/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.45
ROCK2 O75116 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
ROCK1 Q13464 1/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL12750944 0.86 SMN1; SMN2 (0.48) SMN1; SMN2EGFRHTTMAPTMEN1
SCHEMBL835820 0.85 EGFR (0.56) SMN1; SMN2EGFRHTTMAPTMEN1
SCHEMBL832135 0.85 EGFR (0.56) SMN1; SMN2EGFRHTTMAPTMEN1
SCHEMBL835830 0.85 EGFR (0.56) SMN1; SMN2EGFRHTTMAPTMEN1
SCHEMBL837152 0.80 HTT (0.40) SMN1; SMN2EGFRHTTMAPTMAPK1
SCHEMBL3468670 0.79 KDR (0.58) MAPTPDGFRBKDR
SCHEMBL836681 0.77 KDR (0.51) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL16782010 0.77 POLB (0.55) SMN1; SMN2EGFRHTTMAPTMEN1
SCHEMBL833309 0.75 EGFR (0.46) SMN1; SMN2EGFRHTTMAPTMEN1
SCHEMBL12751007 0.75 EGFR (0.46) SMN1; SMN2EGFRHTTMAPTMEN1

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
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
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 (3 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-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 SMN1; SMN2 4781/4885EGFR 81/4885HTT 4564/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 SMN1; SMN2 4781/4885EGFR 81/4885HTT 4564/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 SMN1; SMN2 4303/4885EGFR 155/4885HTT 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.