SCHEMBL4189643

SCHEMBL4189643

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
HSD17B1 P14061 3/20 0.46
HSD17B2 P37059 3/20 0.46
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
PNPLA2 Q96AD5 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NR1H3 Q13133 1/20 0.43
ITGB1 P05556 1/20 0.41
ITGA2 P17301 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
KAT6A Q92794 1/20 0.41
HSD17B10 Q99714 2/20 0.40
AOC3 Q16853 1/20 0.40
ALDH1A1 P00352 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 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
SCHEMBL14018611 0.83 HSD17B1 (0.62) HSD17B1HSD17B2NR1H3HSD17B10TDP1
SCHEMBL13631953 0.78 RORC (0.46) KMT2AHSD17B1HSD17B2POLBNR1H3
SCHEMBL4186586 0.77 POLB (0.59) HSD17B1HSD17B2POLBHSD17B10ALDH1A1
SCHEMBL13631950 0.77 HCRTR2 (0.42) KMT2AHSD17B1HSD17B2MEN1NR1H3
SCHEMBL4877336 0.76 TDP1 (0.62) LMNAALDH1A1MAPTPKMTDP1
SCHEMBL715206 0.74 HSD17B1 (0.40) KMT2AHSD17B1HSD17B2PNPLA2HDAC6
SCHEMBL715207 0.74 PNPLA2 (0.42) KMT2AHSD17B1HSD17B2MEN1PNPLA2
SCHEMBL4183469 0.74 HSD17B1 (0.57) KMT2AHSD17B1HSD17B2MEN1NR1H3
SCHEMBL13631949 0.74 RORC (0.48) KMT2AHSD17B1HSD17B2POLBNR1H3
SCHEMBL3461784 0.73 HSD17B1 (0.59) HSD17B1HSD17B2NR1H3TDP1

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 7 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-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

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 KMT2A 2643/4885HSD17B1 2903/4885HSD17B2 2702/4885
US-20080255028-A1 Collagen Receptor I-Domain Binding Modulators COL14A1, COL2A1, COL1A1 KMT2A 1540/4885HSD17B1 3438/4885HSD17B2 3494/4885
US-20090286713-A9 Collagen Receptor I-Domain Binding Modulators COL14A1, COL2A1, COL1A1 KMT2A 1540/4885HSD17B1 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.