SCHEMBL4877404

SCHEMBL4877404

Cc1nc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2o1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 4/20 0.59
PTPN1 P18031 4/20 0.59
PTPN5 P54829 4/20 0.59
HSD17B2 P37059 1/20 0.56
MAPT P10636 7/20 0.50
TP53 P04637 5/20 0.50
LMNA P02545 4/20 0.50
POLB P06746 2/20 0.50
HIF1A Q16665 1/20 0.50
EDNRB P24530 2/20 0.49
EDNRA P25101 2/20 0.49
PGR P06401 2/20 0.48
BRD4 O60885 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL4880510 0.91 PTPN1 (0.72) PTPN2PTPN1PTPN5HSD17B2MAPT
SCHEMBL8280448 0.81 MAPT (0.64) PTPN2PTPN1PTPN5MAPTTP53
SCHEMBL3037113 0.80 MAPT (0.56) PTPN2PTPN1PTPN5MAPTTP53
SCHEMBL14018663 0.76 HTT (0.71) PTPN2PTPN1PTPN5HSD17B2MAPT
SCHEMBL617843 0.75 MAPT (0.55) PTPN2PTPN1PTPN5MAPTTP53
SCHEMBL618169 0.75 HSD11B1 (0.51) PTPN2PTPN1PTPN5MAPTTP53
SCHEMBL1859217 0.75 PGR (0.68) PTPN2PTPN1PTPN5HSD17B2MAPT
SCHEMBL15480557 0.74 HDAC6 (0.53) PTPN2PTPN1PTPN5MAPTTP53
SCHEMBL31701719 0.74 PTPN1 (1.00) PTPN2PTPN1PTPN5MAPTALDH1A1
SCHEMBL14433749 0.74 HSD17B2 (0.66) PTPN2PTPN1PTPN5HSD17B2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
EP-1732884-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2006-12-20 EP disclosed
WO-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 WO disclosed
WO-2005090297-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 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 (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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread NR1I2, ITGA2, ITGB2 PTPN2 1095/4885PTPN1 1619/4885PTPN5 1697/4885

“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.