SCHEMBL3461871

SCHEMBL3461871

CCOC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.50
MAPT P10636 6/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.45
GLA P06280 1/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RORC P51449 1/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3462930 0.86 HCRTR2 (0.53) HCRTR2MAPTKMT2AALDH1A1POLB
SCHEMBL7422328 0.84 KMT2A (0.64) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL3460857 0.81 HCRTR2 (0.48) HCRTR2MAPTKMT2AALDH1A1MEN1
SCHEMBL5461521 0.81 PKM (0.61) HCRTR2MAPTKMT2AALDH1A1MEN1
SCHEMBL3461368 0.77 HSD17B1 (0.54) MAPTKMT2AMEN1POLBCA9
SCHEMBL4186586 0.77 POLB (0.59) HCRTR2MAPTALDH1A1POLBNPSR1
SCHEMBL5624112 0.76 ALDH1A1 (0.51) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL13631965 0.75 MAPK1 (0.45) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL6574348 0.75 MMP1 (0.52) HCRTR2MAPTKMT2AALDH1A1MEN1
SCHEMBL3461355 0.73 NR3C1 (0.45) MAPTKMT2AMEN1PKML3MBTL1

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 HCRTR2 4106/4885MAPT 2831/4885KMT2A 2144/4885

“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.