SCHEMBL7799532

SCHEMBL7799532

O=C(Nc1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 3/20 0.70
RXFP1 Q9HBX9 1/20 0.54
GHSR Q92847 3/20 0.51
GRM4 Q14833 1/20 0.50
ADORA3 P0DMS8 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PPARG P37231 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
PIM1 P11309 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
FLT3 P36888 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIM3 Q86V86 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL14014137 0.83 PFKFB3 (0.62) PFKFB3RXFP1GHSRPOLBNPC1
SCHEMBL788488 0.82 PFKFB3 (1.00) PFKFB3RXFP1GHSRPOLBKDM4E
SCHEMBL15480562 0.82 PFKFB3 (0.65) PFKFB3RXFP1GHSRPOLBNPC1
SCHEMBL3462727 0.82 ITGB1 (0.68) PFKFB3ADORA3NPC1RAB9AKDM4E
SCHEMBL12335544 0.81 RXFP1 (0.59) PFKFB3RXFP1GHSRMLNRCYP2D6
SCHEMBL5649232 0.77 PFKFB3 (0.56) PFKFB3RXFP1GHSRNPC1RAB9A
SCHEMBL12334571 0.77 RXFP1 (0.57) PFKFB3RXFP1GHSRMLNRCYP2D6
SCHEMBL3460609 0.76 ITGB1 (0.49) PFKFB3ADORA3NPC1RAB9AKDM4E
SCHEMBL29989250 0.75 PFKFB3 (0.59) PFKFB3RXFP1NPC1RAB9AKDM4E
SCHEMBL7537263 0.74 PFKFB3 (0.61) PFKFB3RXFP1GHSRKDM4ECNKSR1

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 3 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

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 PFKFB3 3583/4885RXFP1 2264/4885GHSR 2734/4885

“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.