SCHEMBL3460494

SCHEMBL3460494

CC1(C)OCC(CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.42
EPAS1 Q99814 2/20 0.42
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
CA9 Q16790 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
GLA P06280 1/20 0.37
RORC P51449 1/20 0.36
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35

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
SCHEMBL3461457 0.88 FPR2 (0.44) HIF1AEPAS1FPR2SCN9AMEN1
SCHEMBL3461746 0.83 ALDH1A1 (0.44) FPR2SCN9AALDH1A1POLBL3MBTL1
SCHEMBL3461368 0.74 HSD17B1 (0.54) MEN1KMT2APOLBCA9MAPT
SCHEMBL3461871 0.73 HCRTR2 (0.50) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL3461355 0.69 NR3C1 (0.45) HIF1AEPAS1MEN1KMT2AL3MBTL1
SCHEMBL3461456 0.68 HIF1A (0.42) HIF1AEPAS1MEN1KMT2AL3MBTL1
SCHEMBL3461442 0.68 CYP19A1 (0.45) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL11895230 0.68 LMNA (0.36) FPR2SCN9AMEN1KMT2AALDH1A1
SCHEMBL13631965 0.67 MAPK1 (0.45) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL2565337 0.66 ALDH1A1 (0.58) HIF1AEPAS1MEN1KMT2AALDH1A1

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
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B HIF1A 110/4885EPAS1 2056/4885FPR2 682/4885

“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.