SCHEMBL4882690

SCHEMBL4882690

Cc1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3Cl)ccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.45
KDM4E B2RXH2 1/20 0.43
BRD1 O95696 1/20 0.40
ACLY P53396 4/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
PKM P14618 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
PGR P06401 1/20 0.36
THRB P10828 2/20 0.36
RECQL P46063 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL713590 0.82 KDM4E (0.44) BRPF1KDM4EBRD1HSD11B1TRPV4
SCHEMBL8279516 0.79 BRPF1 (0.45) BRPF1KDM4EBRD1MEN1KMT2A
SCHEMBL14018575 0.78 KDM4E (0.48) KDM4EACLYHSD11B1MEN1KMT2A
SCHEMBL716311 0.77 KDM4E (0.44) KDM4EHSD11B1ALDH1A1MAPTTRPV4
SCHEMBL4186339 0.77 DRD2 (0.34) BRPF1KDM4EACLYHSD11B1MEN1
SCHEMBL4879959 0.75 KDM4E (0.59) KDM4EHSD11B1MEN1KMT2AALDH1A1
SCHEMBL4879094 0.75 KDM4E (0.44) KDM4EHSD11B1MAPTNPSR1TRPV4
SCHEMBL714553 0.73 ACLY (0.38) KDM4EACLYMEN1KMT2AALDH1A1
SCHEMBL4175248 0.72 KDM4E (0.56) KDM4EHSD11B1MEN1KMT2AALDH1A1
SCHEMBL435737 0.72 RXFP1 (0.47) KDM4EACLYMEN1KMT2AALDH1A1

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-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 claimed
EP-1732884-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2006-12-20 EP claimed
WO-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 WO claimed
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
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
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

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 BRPF1 1169/4885KDM4E 1548/4885BRD1 610/4885

“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.