SCHEMBL4882901

SCHEMBL4882901

O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
HPGD P15428 3/20 0.57
IDH1 O75874 1/20 0.57
GFER P55789 1/20 0.55
MAPT P10636 6/20 0.55
ITGA1 P56199 3/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 3/20 0.52
PKM P14618 2/20 0.52
LMNA P02545 1/20 0.52
ALOX12 P18054 1/20 0.52
NLRP1 Q9C000 1/20 0.52

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
SCHEMBL9968016 0.89 HSP90AA1 (0.65) GAAHPGDIDH1GFERMAPT
SCHEMBL9968014 0.82 HPGD (0.74) GAAHPGDGFERMAPTHSP90AA1
SCHEMBL3637457 0.81 GFER (0.53) GAAHPGDIDH1GFERMAPT
SCHEMBL714680 0.81 GAA (0.51) GAAHPGDIDH1MAPTUSP2
SCHEMBL29560043 0.79 GAA (0.50) GAAHPGDIDH1GFERMAPT
SCHEMBL21545963 0.79 GAA (0.50) GAAHPGDIDH1GFERMAPT
SCHEMBL9968018 0.76 MAPT (0.68) GAAHPGDIDH1MAPTHSP90AA1
SCHEMBL10079157 0.75 GFER (0.78) HPGDGFERMAPTHSP90AA1HSP90AB1
SCHEMBL2029062 0.75 ITGA1 (0.68) MAPTITGA1KMT2ASMN1; SMN2MEN1
SCHEMBL16325537 0.74 CDK1 (0.65) IDH1MAPTITGA1KMT2ASMN1; SMN2

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 GAA 4655/4885HPGD 3209/4885IDH1 2198/4885

“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.