SCHEMBL3468684

SCHEMBL3468684

CN(c1ccc(NC(=O)Nc2ccncc2)cc1)S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.56
SIRT2 Q8IXJ6 6/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ITGB1 P05556 1/20 0.52
ITGA2 P17301 1/20 0.52
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
NR1H3 Q13133 1/20 0.50
CNR1 P21554 2/20 0.49
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 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
SCHEMBL3461544 0.90 ITGB1 (0.60) NAMPTSIRT2MEN1KMT2AITGB1
SCHEMBL7803560 0.84 LMNA (0.62) NAMPTMEN1KMT2ATAAR1CNR1
SCHEMBL3461759 0.82 ITGB1 (0.62) NAMPTSIRT2MEN1KMT2AITGB1
SCHEMBL3461331 0.80 CYP11B1 (0.59) NAMPTSIRT2MEN1KMT2AITGB1
SCHEMBL14018611 0.79 HSD17B1 (0.62) SIRT2HSD17B1HSD17B2NR1H3CYP11B1
SCHEMBL4452829 0.79 SIRT2 (0.51) SIRT2MEN1KMT2AITGB1ITGA2
SCHEMBL3461375 0.78 CNR1 (0.54) SIRT2MEN1KMT2AITGB1ITGA2
SCHEMBL7807791 0.78 CNR1 (0.54) SIRT2MEN1KMT2AITGB1ITGA2
SCHEMBL4183469 0.78 HSD17B1 (0.57) SIRT2MEN1KMT2AITGB1ITGA2
SCHEMBL3461784 0.77 HSD17B1 (0.59) SIRT2TAAR1HSD17B1HSD17B2NR1H3

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 NAMPT 1938/4885SIRT2 960/4885MEN1 4730/4885

“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.