SCHEMBL3461746

SCHEMBL3461746

CC1(C)OCC(CN(c2ccc(NC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR1 P21554 3/20 0.43
FPR2 P25090 1/20 0.42
SCN9A Q15858 1/20 0.42
MAPT P10636 2/20 0.41
IDH2 P48735 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
LMNA P02545 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA2 P17301 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.37

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 0.85 FPR2 (0.44) ALDH1A1NPSR1FPR2SCN9ALMNA
SCHEMBL3460494 0.83 HIF1A (0.42) ALDH1A1FPR2SCN9AMAPTCA2
SCHEMBL3461014 0.79 CNR1 (0.50) ALDH1A1NPSR1CNR1MAPTIDH2
SCHEMBL3460910 0.77 CNR1 (0.47) ALDH1A1NPSR1CNR1MAPTIDH2
SCHEMBL3461544 0.77 ITGB1 (0.60) ALDH1A1CNR1MAPTCA2CA9
SCHEMBL3459990 0.77 ALDH1A1 (0.48) ALDH1A1NPSR1CNR1MAPTIDH2
SCHEMBL3460857 0.76 HCRTR2 (0.48) ALDH1A1NPSR1CNR1MAPTCA2
SCHEMBL3462135 0.76 ALDH1A1 (0.47) ALDH1A1NPSR1CNR1MAPTIDH2
SCHEMBL3461870 0.75 CNR1 (0.44) ALDH1A1NPSR1CNR1MAPTIDH2
SCHEMBL3461493 0.75 MAPT (0.44) ALDH1A1NPSR1CNR1MAPTCA2

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 ALDH1A1 838/4885NPSR1 808/4885CNR1 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.