SCHEMBL3959629

SCHEMBL3959629

CCCC(=O)NSc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
CYP2C19 P33261 3/20 0.47
RECQL P46063 1/20 0.47
CYP3A4 P08684 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP1A2 P05177 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
SCHEMBL31393494 0.88 EPHX2 (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1CES2
SCHEMBL2311197 0.85 MEN1 (0.49) ALDH1A1MAPTHPGDCYP2C19RECQL
SCHEMBL12876691 0.83 CYP1A2 (0.47) ALDH1A1HPGDCYP2C19CYP3A4L3MBTL1
SCHEMBL11701158 0.82 TP53 (0.40) ALOX5ALDH1A1MAPTHPGDCYP2C19
SCHEMBL3071125 0.82 FFAR1 (0.45) ALDH1A1MAPTHPGDCYP2C19RECQL
SCHEMBL21515053 0.81 P2RX7 (0.48) ALDH1A1MAPTHPGDCYP2C19CYP3A4
SCHEMBL22046551 0.78 CA1 (0.41) ALDH1A1MAPTHPGDCYP2C19CYP3A4
SCHEMBL15930098 0.76 HPGD (0.50) ALDH1A1MAPTHPGDCYP2C19CYP3A4
SCHEMBL28593984 0.76 F2R (0.45) ALOX5ALDH1A1MAPTHPGDCYP2C19
SCHEMBL3069529 0.76 CYP3A4 (0.43) ALDH1A1MAPTCYP2C19RECQLCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809352-B2 Sulfonamides as inhibitors of Bcl-2 family proteins for the treatments of cancer NOVARTIS AG (CH) 2014-08-19 US disclosed
US-20120165298-A1 SULFONAMIDE COMPOUNDS NOVARTIS AG (CH) 2012-06-28 US disclosed
WO-2009036035-A1 BCL-2 INHIBITORS CURIS, INC. (US) 2009-03-19 WO disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 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 (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-20120165298-A1 SULFONAMIDE COMPOUNDS BCLAF1, BCL2L11, BCL2 ALOX5 3063/4885ALDH1A1 2784/4885MAPT 4169/4885

“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.