SCHEMBL4183469

SCHEMBL4183469

CN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.57
HSD17B2 P37059 4/20 0.57
NR1H3 Q13133 2/20 0.53
SIRT2 Q8IXJ6 4/20 0.50
RORC P51449 1/20 0.48
ITGB1 P05556 1/20 0.46
ITGA2 P17301 1/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL3461784 0.85 HSD17B1 (0.59) HSD17B1HSD17B2NR1H3SIRT2CYP11B1
SCHEMBL14018611 0.84 HSD17B1 (0.62) HSD17B1HSD17B2NR1H3SIRT2CYP11B1
SCHEMBL23559368 0.84 FFAR1 (0.56) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3461544 0.80 ITGB1 (0.60) HSD17B1HSD17B2NR1H3SIRT2ITGB1
SCHEMBL3462121 0.79 HSD17B1 (0.56) HSD17B1HSD17B2NR1H3SIRT2HTT
SCHEMBL15821036 0.78 SIRT2 (0.60) HSD17B1HSD17B2SIRT2HTTLMNA
SCHEMBL3461368 0.78 HSD17B1 (0.54) HSD17B1HSD17B2NR1H3SIRT2MEN1
SCHEMBL3468684 0.78 NAMPT (0.56) HSD17B1HSD17B2NR1H3SIRT2ITGB1
SCHEMBL4183795 0.77 MAP2K4 (0.66) MAPTLMNASMN1; SMN2
SCHEMBL4189643 0.74 KMT2A (0.54) HSD17B1HSD17B2NR1H3ITGB1ITGA2

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 claimed
EP-1931706-A4 COLLAGEN RECEPTOR I-DOMAIN BINDING MODULATORS BIOTIE THERAPIES CORP (FI) 2009-05-27 EP claimed
US-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 US claimed
US-20080255028-A1 Collagen Receptor I-Domain Binding Modulators BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US claimed
EP-1931706-A1 COLLAGEN RECEPTOR I-DOMAIN BINDING MODULATORS Biotie Therapies Corp. (FI) 2008-06-18 EP claimed
EP-1924554-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2008-05-28 EP claimed
WO-2007034035-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2007-03-29 WO claimed
WO-2007031608-A1 COLLAGEN RECEPTOR I-DOMAIN BINDING MODULATORS BIOTIE THERAPIES CORPORATION (FI) 2007-03-22 WO claimed
US-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 US disclosed
EP-1924554-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2008-05-28 EP disclosed
WO-2007034035-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2007-03-29 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 HSD17B1 2903/4885HSD17B2 2702/4885NR1H3 329/4885
US-20080255028-A1 Collagen Receptor I-Domain Binding Modulators COL14A1, COL2A1, COL1A1 HSD17B1 3438/4885HSD17B2 3494/4885NR1H3 874/4885
US-20090286713-A9 Collagen Receptor I-Domain Binding Modulators COL14A1, COL2A1, COL1A1 HSD17B1 3438/4885HSD17B2 3494/4885NR1H3 874/4885

“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.