SCHEMBL3242209

SCHEMBL3242209

N#CCS(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.43
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
FABP4 P15090 3/20 0.34
CYP3A4 P08684 4/20 0.33
CNR1 P21554 2/20 0.33
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CNR2 P34972 1/20 0.33
PGR P06401 1/20 0.33
ACLY P53396 1/20 0.33

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
SCHEMBL7140183 0.81 CYP1A2 (0.44) CYP3A4CYP2D6ALDH1A1PGR
SCHEMBL3247012 0.81 ALDH1A1 (0.50) SOD1PSEN1PSEN2APH1BNCSTN
SCHEMBL17376536 0.75 EPAS1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8745524 0.75 SOD1 (0.50) SOD1PSEN1PSEN2APH1BNCSTN
SCHEMBL11158255 0.75 ALDH1A1 (0.43) CYP3A4FLT1FLT4KDRCYP2D6
SCHEMBL17730411 0.73 FNTA (0.41) CYP3A4TSHRALDH1A1
SCHEMBL3250089 0.73 ALDH1A1 (0.45) TSHRALDH1A1MAPK1
SCHEMBL878654 0.73 SOD1 (0.48) SOD1FABP4TSHRALDH1A1ACLY
SCHEMBL17376376 0.71 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21995280 0.71 GAA (0.43) FLT1FLT4KDRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908846-B2 Composition, synthesis, and use of new arylsulfonyl isonitriles DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-03-06 US disclosed
US-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2015-08-27 US disclosed
EP-1575575-B1 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2010-05-19 EP disclosed
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
EP-1575575-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-21 EP disclosed
US-6875771-B2 Pyridopyrimidine derivatives as 5-HT6 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-05 US disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 WO disclosed
US-20040138301-A1 Chemical uncouplers for the treatment of obesity HIGH POINT PHARMACEUTICALS, LLC 2004-07-15 US disclosed
WO-2004041256-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-05-21 WO disclosed
US-20040019064-A1 Pyridopyrimidine derivatives as 5-HT6 antagonists WU YONG-JIN (US) 2004-01-29 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 (4 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-20040019064-A1 Pyridopyrimidine derivatives as 5-HT6 antagonists HTR6, HTR4, HTR1A SOD1 1931/4885PSEN1 143/4885PSEN2 93/4885
US-20040138301-A1 Chemical uncouplers for the treatment of obesity PC, CPT2, IDH2 SOD1 1798/4885PSEN1 3650/4885PSEN2 2643/4885
US-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES SRMS, AADAC, CYP3A4 SOD1 2561/4885PSEN1 1862/4885PSEN2 1682/4885
US-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 SOD1 1247/4885PSEN1 3677/4885PSEN2 4247/4885

“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.