SCHEMBL10259151

SCHEMBL10259151

Cc1cc(Br)cc(S(=O)(=O)NCC(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C19 P33261 1/20 0.31
NAMPT P43490 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
NR2F2 P24468 1/20 0.30
NOD2 Q9HC29 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL7945305 0.84 KMT2A (0.32) GAACA1CA2NAMPTKMT2A
SCHEMBL196841 0.74 ALDH1A1 (0.42) ALDH1A1PIK3CDPIK3CBPIK3CGCA1
SCHEMBL855143 0.73 KMT2A (0.33) GAAALDH1A1KDM4EPIK3CDPIK3CB
SCHEMBL4726155 0.67 ALDH1A1 (0.54) GAAALDH1A1CA1CA2
SCHEMBL197038 0.67 ALDH1A1 (0.49) GAAALDH1A1CA1CA2SMN1; SMN2
SCHEMBL15298572 0.66 SLC40A1 (0.44) GAAALDH1A1KDM4EPIK3CDPIK3CB
SCHEMBL14845833 0.66 SMN1; SMN2 (0.40) GAAALDH1A1KDM4ECA1CA2
SCHEMBL12285528 0.65 CA12 (0.45) ALDH1A1PIK3CDPIK3CBPIK3CGCA1
SCHEMBL1368414 0.65 LMNA (0.46) ALDH1A1PIK3CDPIK3CBPIK3CGCA1
SCHEMBL9955406 0.64 GLA (0.42) GAASMN1; SMN2KMT2ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 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-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GAA 990/4885ALDH1A1 4348/4885KDM4E 2029/4885

“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.