SCHEMBL4036882

SCHEMBL4036882

O=S(=O)(NCC(F)(F)F)c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
IDH2 P48735 6/20 0.43
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
CCR1 P32246 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4029106 0.81 PTGES2 (0.47) IDH2GAASLC40A1TP53CYP1A2
SCHEMBL6563375 0.77 PIK3CD (0.39) MCL1IDH2CA12CA1CA2
SCHEMBL27571694 0.75 CXCR2 (0.65) IDH2
SCHEMBL6565901 0.75 TDP1 (0.45) L3MBTL1LMNAPKMCA1CA2
SCHEMBL6186899 0.73 CYP3A4 (0.54) L3MBTL1ATMCCR1LMNACA12
SCHEMBL6564072 0.73 VCAM1 (0.41) L3MBTL1IDH2LMNAPKMCA1
SCHEMBL3528919 0.72 CYP2C19 (0.57) IDH2LMNAPKMCA12CA1
SCHEMBL21569705 0.71 L3MBTL1 (0.48) MCL1L3MBTL1CCR1CYP1A2CYP3A4
SCHEMBL31381967 0.71 GAA (0.55) GAAATMSLC1A3SLC1A2LMNA
SCHEMBL21569697 0.70 NMT1 (0.36) MCL1L3MBTL1IDH2LMNACA1

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
EP-1521744-B1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS FOURNIER LAB SA (FR) 2009-04-01 EP disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US disclosed
EP-1521744-A1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS LABORATOIRES FOURNIER S.A. (FR) 2005-04-13 EP disclosed
WO-2003106428-A1 NOVEL ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS THERAPEUTIC AGENTS LABORATOIRES FOURNIER SA (FR) 2003-12-24 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 MCL1 40/4885L3MBTL1 4830/4885IDH2 354/4885

“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.