SCHEMBL4452829

SCHEMBL4452829

CN(c1ccc(NC(=O)N2CCNC2=O)cc1)S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.51
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ITGB1 P05556 1/20 0.42
ITGA2 P17301 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H3 Q13133 1/20 0.42
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL13631968 0.85 L3MBTL1 (0.48) LMNANPC1
SCHEMBL3461544 0.79 ITGB1 (0.60) SIRT2HSD17B1HSD17B2ITGB1ITGA2
SCHEMBL3468684 0.79 NAMPT (0.56) SIRT2HSD17B1HSD17B2ITGB1ITGA2
SCHEMBL13631963 0.74 GPR27 (0.44) SIRT2KDM4EMAPTHTTLMNA
SCHEMBL14018611 0.73 HSD17B1 (0.62) SIRT2HSD17B1HSD17B2NR1H3CYP11B1
SCHEMBL4183469 0.72 HSD17B1 (0.57) SIRT2HSD17B1HSD17B2ITGB1ITGA2
SCHEMBL3461784 0.71 HSD17B1 (0.59) SIRT2HSD17B1HSD17B2NR1H3CYP11B1
SCHEMBL3461759 0.68 ITGB1 (0.62) SIRT2ITGB1ITGA2KDM4EMEN1
SCHEMBL3461375 0.68 CNR1 (0.54) SIRT2ITGB1ITGA2KDM4EMEN1
SCHEMBL7807791 0.68 CNR1 (0.54) SIRT2ITGB1ITGA2KDM4EMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286713-A9 Collagen Receptor I-Domain Binding Modulators BIOTIE THERAPIES CORPORATION (FI) 2009-11-19 US disclosed
US-20090286713-A9 Collagen Receptor I-Domain Binding Modulators BIOTIE THERAPIES CORPORATION (FI) 2009-11-19 US disclosed
US-20090286713-A9 Collagen Receptor I-Domain Binding Modulators BIOTIE THERAPIES CORPORATION (FI) 2009-11-19 US disclosed
EP-1931706-A4 COLLAGEN RECEPTOR I-DOMAIN BINDING MODULATORS BIOTIE THERAPIES CORP (FI) 2009-05-27 EP disclosed
US-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 US disclosed
US-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 US disclosed
US-20080255028-A1 Collagen Receptor I-Domain Binding Modulators BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
US-20080255028-A1 Collagen Receptor I-Domain Binding Modulators BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
US-20080255028-A1 Collagen Receptor I-Domain Binding Modulators BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
EP-1931706-A1 COLLAGEN RECEPTOR I-DOMAIN BINDING MODULATORS Biotie Therapies Corp. (FI) 2008-06-18 EP disclosed
WO-2007031608-A1 COLLAGEN RECEPTOR I-DOMAIN BINDING MODULATORS BIOTIE THERAPIES CORPORATION (FI) 2007-03-22 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 (3 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-20090023735-A1 Sulphonamide Derivatives HCAR1, ADGRE5, ALK SIRT2 1507/4885HSD17B1 2903/4885HSD17B2 2702/4885
US-20080255028-A1 Collagen Receptor I-Domain Binding Modulators COL14A1, COL2A1, COL1A1 SIRT2 1434/4885HSD17B1 3438/4885HSD17B2 3494/4885
US-20090286713-A9 Collagen Receptor I-Domain Binding Modulators COL14A1, COL2A1, COL1A1 SIRT2 1434/4885HSD17B1 3438/4885HSD17B2 3494/4885

“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.