SCHEMBL4186586

SCHEMBL4186586

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
ALDH1A1 P00352 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NR1I2 O75469 1/20 0.51
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.46
HCRTR2 O43614 1/20 0.46
PTPN1 P18031 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
RORC P51449 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL13631953 0.84 RORC (0.46) POLBALDH1A1NPSR1TSHRHSD17B10
SCHEMBL13631949 0.82 RORC (0.48) POLBALDH1A1NPSR1NR1I2TSHR
SCHEMBL16894172 0.81 POLB (0.70) POLBALDH1A1NPSR1NR1I2TSHR
SCHEMBL13631950 0.81 HCRTR2 (0.42) TSHRHSD17B10HCRTR2HSD17B1HSD17B2
SCHEMBL3462930 0.80 HCRTR2 (0.53) POLBALDH1A1NPSR1NR1I2TSHR
SCHEMBL3460857 0.78 HCRTR2 (0.48) POLBALDH1A1NPSR1MAPTHCRTR2
SCHEMBL14018611 0.77 HSD17B1 (0.62) HSD17B10HSD17B1HSD17B2
SCHEMBL3461871 0.77 HCRTR2 (0.50) POLBALDH1A1NPSR1PKMMAPT
SCHEMBL4189643 0.77 KMT2A (0.54) POLBALDH1A1NPSR1PKMHSD17B10
SCHEMBL4877336 0.76 TDP1 (0.62) ALDH1A1PKMMAPT

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 8 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-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
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 POLB 4549/4885ALDH1A1 872/4885NPSR1 118/4885
US-20080255028-A1 Collagen Receptor I-Domain Binding Modulators COL14A1, COL2A1, COL1A1 POLB 3530/4885ALDH1A1 2678/4885NPSR1 585/4885
US-20090286713-A9 Collagen Receptor I-Domain Binding Modulators COL14A1, COL2A1, COL1A1 POLB 3530/4885ALDH1A1 2678/4885NPSR1 585/4885

“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.