SCHEMBL4879094

SCHEMBL4879094

Cc1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3Cl)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
TRPV4 Q9HBA0 1/20 0.37
LGALS8 O00214 2/20 0.36
PGR P06401 1/20 0.36
LGALS1 P09382 1/20 0.36
LGALS3 P17931 1/20 0.36
CYP2A6 P11509 1/20 0.36
KEAP1 Q14145 1/20 0.36
LMNA P02545 1/20 0.36
SCN9A Q15858 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4879959 0.76 KDM4E (0.59) KDM4EMAPTTDP1HPGDHSD11B1
SCHEMBL4882690 0.75 BRPF1 (0.45) KDM4EMAPTHSD11B1TRPV4PGR
SCHEMBL4879097 0.74 ITGA1 (0.51) MAPTMAOAMAOBLMNA
SCHEMBL4175248 0.73 KDM4E (0.56) KDM4EMAPTHSD11B1TRPV4PGR
SCHEMBL713590 0.73 KDM4E (0.44) KDM4EHSD11B1MAOBTRPV4PGR
SCHEMBL716311 0.73 KDM4E (0.44) KDM4EMAPTHSD11B1TRPV4PGR
SCHEMBL266816 0.72 CYP2A6 (0.59) KDM4EMAPTCYP1A2GAAHPGD
SCHEMBL14018589 0.72 SMN1; SMN2 (0.48) KDM4EMAPTGAAHSD11B1TRPV4
SCHEMBL8279477 0.71 MAPT (0.46) KDM4EMAPTTDP1HPGDMAOA
SCHEMBL714422 0.71 MAPT (0.46) KDM4EMAPTTDP1HPGDMAOA

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 5 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
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 KDM4E 1548/4885MAPT 4739/4885TDP1 4009/4885

“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.