SCHEMBL837152

SCHEMBL837152

CC(C)(C)N(C(=O)O)c1ccc(S(C)(=O)=NC(=O)c2cncc(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.40
EGFR P00533 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ALOX15 P16050 1/20 0.37
TP53 P04637 1/20 0.36

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 0.81 EGFR (0.56) HTTEGFRSMN1; SMN2RAB9AALDH1A1
SCHEMBL835820 0.81 EGFR (0.56) HTTEGFRSMN1; SMN2RAB9AALDH1A1
SCHEMBL835830 0.81 EGFR (0.56) HTTEGFRSMN1; SMN2RAB9AALDH1A1
SCHEMBL833841 0.81 KDR (0.44) MAPT
SCHEMBL835359 0.81 KDR (0.44) MAPT
SCHEMBL3467705 0.80 SMN1; SMN2 (0.53) HTTEGFRSMN1; SMN2RAB9AALDH1A1
SCHEMBL12750944 0.78 SMN1; SMN2 (0.48) HTTEGFRSMN1; SMN2RAB9AALDH1A1
SCHEMBL836873 0.75 KDR (0.49) MAPT
SCHEMBL836874 0.75 KDR (0.49) MAPT
SCHEMBL16782010 0.73 POLB (0.55) HTTEGFRSMN1; SMN2RAB9AALDH1A1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HTT 4564/4885EGFR 81/4885SMN1; SMN2 4781/4885

“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.