SCHEMBL1890723

SCHEMBL1890723

COc1ccc(N2CCN(c3ccc(S(=O)(=O)O)cn3)CC2)cc1.NC(=O)c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK10 P53779 3/20 0.46
NPSR1 Q6W5P4 3/20 0.42
GPR119 Q8TDV5 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN11 Q06124 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A9 P48067 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1890721 0.86 FLT1 (0.50) MEN1KMT2AHSD17B10MAPK10NPSR1
SCHEMBL4373803 0.86 L3MBTL1 (0.46) MEN1KMT2AHSD17B10LMNAMAPT
SCHEMBL1881342 0.85 RPS6KB1 (0.45) HSD17B10HTTLMNATP53MAPT
SCHEMBL4370332 0.85 L3MBTL1 (0.46) MEN1KMT2AHSD17B10LMNAMAPT
SCHEMBL4373686 0.85 CA12 (0.44) KMT2AMAPK10GPR119LMNAMAPT
SCHEMBL4378379 0.84 CA12 (0.46) KMT2AGPR119LMNAMAPTL3MBTL1
SCHEMBL4373275 0.83 CA12 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1883785 0.82 RPS6KB1 (0.43) GPR119MAPTSMN1; SMN2CA12CA1
SCHEMBL1891647 0.82 LMNA (0.48) MEN1KMT2AGPR119LMNAMAPT
SCHEMBL4378346 0.80 CA12 (0.43) MAPK10SMN1; SMN2TSHRL3MBTL1CA12

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 6 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
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 MEN1 918/4885KMT2A 3658/4885HSD17B10 3340/4885

“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.