SCHEMBL3459990

SCHEMBL3459990

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CNR1 P21554 3/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 1/20 0.46
IDH2 P48735 3/20 0.45
ALOX5 P09917 3/20 0.44
CETP P11597 2/20 0.44
PTGES O14684 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA2 P17301 1/20 0.43
MGLL Q99685 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
SCHEMBL3461014 0.94 CNR1 (0.50) ALDH1A1NPSR1CNR1CA12CA1
SCHEMBL3460910 0.90 CNR1 (0.47) ALDH1A1NPSR1CNR1CA12CA1
SCHEMBL3461493 0.87 MAPT (0.44) ALDH1A1NPSR1CNR1CA12CA1
SCHEMBL3461216 0.86 MGLL (0.47) ALDH1A1NPSR1CNR1CA12CA1
SCHEMBL3460076 0.86 MCHR1 (0.48) ALDH1A1NPSR1CNR1CA12CA1
SCHEMBL3462135 0.85 ALDH1A1 (0.47) ALDH1A1NPSR1CNR1CA12CA1
SCHEMBL3461870 0.84 CNR1 (0.44) ALDH1A1NPSR1CNR1CA12CA1
SCHEMBL3460857 0.83 HCRTR2 (0.48) ALDH1A1NPSR1CNR1CA12CA1
SCHEMBL3461544 0.82 ITGB1 (0.60) ALDH1A1CNR1CA12CA1CA2
SCHEMBL3478306 0.79 ITGB1 (0.72) ALDH1A1NPSR1CA1CA2MAPT

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.