SCHEMBL7804129

SCHEMBL7804129

O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 3/20 0.60
CNR1 P21554 2/20 0.57
MAPT P10636 3/20 0.56
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
IDH2 P48735 5/20 0.55
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
MGLL Q99685 1/20 0.54
THRB P10828 1/20 0.50
KAT6A Q92794 1/20 0.50
STING1 Q86WV6 1/20 0.49

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
SCHEMBL7805558 0.94 IDH2 (0.61) PFKFB3CNR1MAPTCA12CA1
SCHEMBL7807185 0.89 CNR1 (0.62) PFKFB3CNR1CA12CA1CA2
SCHEMBL7797518 0.88 CNR1 (0.56) PFKFB3CNR1MAPTCA12CA1
SCHEMBL7805075 0.88 IDH2 (0.54) PFKFB3CNR1MAPTCA12CA1
SCHEMBL7798880 0.86 MAPT (0.55) PFKFB3CNR1MAPTCA12CA1
SCHEMBL7806992 0.86 CNR1 (0.58) CNR1MAPTCA12CA1CA2
SCHEMBL7811717 0.86 IDH2 (0.52) PFKFB3CNR1MAPTCA12CA1
SCHEMBL7811207 0.86 LMNA (0.55) PFKFB3CNR1MAPTCA12CA1
SCHEMBL7805723 0.86 CNR1 (0.58) CNR1MAPTCA12CA1CA2
SCHEMBL8278220 0.86 PGR (0.62) PFKFB3MEN1KMT2AKAT6A

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 3583/4885CNR1 174/4885MAPT 2831/4885

“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.