SCHEMBL4079205

SCHEMBL4079205

N#CCS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
CA2 P00918 6/20 0.41
CA1 P00915 5/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
TP53 P04637 1/20 0.40
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
RAPGEF4 Q8WZA2 1/20 0.35
PLCG1 P19174 1/20 0.34
GLA P06280 1/20 0.34
SIGMAR1 Q99720 4/20 0.34
MAPT P10636 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
SCHEMBL3247012 0.81 ALDH1A1 (0.50) F2PRSS1PRSS2PRSS3CA2
SCHEMBL22057007 0.79 MAPT (0.53) CA2CA1CA9CA12MAPT
SCHEMBL5745307 0.79 GAA (0.55) F2PRSS1PRSS2PRSS3CA2
SCHEMBL2320786 0.79 PSEN1 (0.46) F2PRSS1PRSS2PRSS3CA2
SCHEMBL1169954 0.79 ALDH1A1 (0.55) CA2CA1TP53CA9CA12
SCHEMBL4074745 0.79 ENPP2 (0.45) TP53GLA
SCHEMBL3195077 0.79 PLCG1 (0.59) F2PRSS1PRSS2PRSS3CA2
SCHEMBL751 0.78 PSIP1 (0.54) CA2CA1TP53CA9CA12
Methane SCHEMBL8122177 0.77 PSIP1 (0.52) CA2CA1TP53CA9CA12
SCHEMBL7118736 0.76 CA2 (0.52) CA2CA1TP53CA12MAPT

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-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
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 WO disclosed
EP-0941994-B1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2003-05-14 EP disclosed
US-6194410-B1 ANTISEROTONINE AGENTS; NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS HOFFMAN-LA ROCHE INC. 2001-02-27 US disclosed
CN-1236780-A Pyrazolopyrimidines and pyrazolotriazines HOFFMANN LA ROCHE (CH) 1999-12-01 CN disclosed
EP-0941994-A1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP 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-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 F2 4369/4885PRSS1 835/4885PRSS2 1961/4885

“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.