SCHEMBL1883205

SCHEMBL1883205

COc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.58
FLT4 P35916 3/20 0.58
KDR P35968 3/20 0.58
TP53 P04637 1/20 0.49
AVPR2 P30518 1/20 0.46
GPR27 Q9NS67 1/20 0.46
DRD2 P14416 3/20 0.46
DRD1 P21728 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL1884479 0.90 FLT1 (0.59) FLT1FLT4KDRAVPR2GPR27
SCHEMBL1881341 0.90 FLT1 (0.46) FLT1FLT4KDRTP53DRD2
SCHEMBL4370309 0.89 FLT1 (0.64) FLT1FLT4KDRAVPR2GPR27
SCHEMBL4370235 0.88 FLT1 (0.63) FLT1FLT4KDRAVPR2GPR27
SCHEMBL1883230 0.88 ALDH1A1 (0.48) FLT1FLT4KDRTP53DRD2
SCHEMBL1891645 0.87 FLT1 (0.57) FLT1FLT4KDRLMNAALDH1A1
SCHEMBL4371951 0.86 FLT1 (0.61) FLT1FLT4KDRAVPR2GPR27
SCHEMBL4374523 0.86 FLT1 (0.60) FLT1FLT4KDRTP53AVPR2
SCHEMBL4370395 0.85 FLT1 (0.59) FLT1FLT4KDRAVPR2GPR27
SCHEMBL1883207 0.85 RPS6KB1 (0.49) TP53DRD2DRD4DRD3GAA

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
US-7939532-B2 Heterocyclyl pyridyl sulfonamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US claimed
US-20100292247-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
EP-2079719-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-22 EP claimed
WO-2008049605-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 WO claimed
US-7939532-B2 Heterocyclyl pyridyl sulfonamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-20100292247-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US disclosed
EP-2079719-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-22 EP disclosed
WO-2008049605-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 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-20100292247-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS STS, TPMT, DPYD FLT1 3357/4885FLT4 3694/4885KDR 4018/4885

“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.