SCHEMBL3461216

SCHEMBL3461216

O=C(Nc1ccccc1)Nc1ccc(N(CCCOCc2ccccc2)S(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
MAPT P10636 3/20 0.46
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CETP P11597 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA2 P17301 1/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
ALOX5 P09917 1/20 0.40
IDH2 P48735 2/20 0.40
CACNA1H O95180 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
SCHEMBL3461493 0.87 MAPT (0.44) MAPTCNR1ALDH1A1HTTNPSR1
SCHEMBL3459990 0.86 ALDH1A1 (0.48) MGLLMAPTCNR1ALDH1A1NPSR1
SCHEMBL3461070 0.86 KMT2A (0.41) MGLLKEAP1NFE2L2ALOX5ASAH1
SCHEMBL3460910 0.85 CNR1 (0.47) MAPTCNR1ALDH1A1HTTNPSR1
SCHEMBL3461014 0.84 CNR1 (0.50) MGLLMAPTCNR1ALDH1A1NPSR1
SCHEMBL11974063 0.84 KMT2A (0.40) MGLLKEAP1NFE2L2ALOX5ASAH1
SCHEMBL3461355 0.82 NR3C1 (0.45) MAPTLMNAKEAP1NFE2L2ALOX5
SCHEMBL3461544 0.79 ITGB1 (0.60) MAPTCNR1ALDH1A1LMNAHTT
SCHEMBL3461870 0.79 CNR1 (0.44) MAPTCNR1ALDH1A1NPSR1CA12
SCHEMBL3460857 0.78 HCRTR2 (0.48) MAPTCNR1ALDH1A1LMNANPSR1

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 4 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
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 MGLL 4875/4885MAPT 2831/4885CNR1 174/4885

“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.