SCHEMBL714681

SCHEMBL714681

CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
BDKRB1 P46663 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD11B1 P28845 1/20 0.40
IDH1 O75874 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38

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
SCHEMBL3152256 0.79 CNR2 (0.61) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL4879959 0.78 KDM4E (0.59) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL3367624 0.76 HPGD (0.49) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL12017943 0.76 NPC1 (0.60) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL4175248 0.75 KDM4E (0.56) KDM4EMAPTKMT2AHSD11B1ALDH1A1
SCHEMBL4175247 0.71 KDM4E (0.51) KDM4EMAPTKMT2AMAPK1LMNA
SCHEMBL4882901 0.71 GAA (0.57) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL4879094 0.70 KDM4E (0.44) KDM4EMAPTLMNAL3MBTL1HPGD
SCHEMBL716311 0.70 KDM4E (0.44) KDM4EMAPTHSD11B1ALDH1A1TRPV4
SCHEMBL713590 0.70 KDM4E (0.44) KDM4EHSD11B1TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120052057-A9 METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2012-03-01 US claimed
US-20110150859-A1 METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2011-06-23 US claimed
EP-2140029-A2 A METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS Biotie Therapies Corp. (FI) 2010-01-06 EP claimed
WO-2008125738-A2 A METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2008-10-23 WO claimed
US-20120052057-A9 METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2012-03-01 US disclosed
US-20110150859-A1 METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2011-06-23 US disclosed
EP-2140029-A2 A METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS Biotie Therapies Corp. (FI) 2010-01-06 EP disclosed
WO-2008125738-A2 A METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2008-10-23 WO 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 1548/4885BDKRB1 91/4885NPC1 2933/4885

“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.