SCHEMBL4028385

SCHEMBL4028385

COc1ccc(C(Cc2ccc(SC)cc2)=NO)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.79
KDM4E B2RXH2 1/20 0.79
PKM P14618 2/20 0.54
GAA P10253 1/20 0.47
CTBP2 P56545 1/20 0.47
TLR4 O00206 2/20 0.45
XDH P47989 2/20 0.45
NLRP3 Q96P20 2/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
MGLL Q99685 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL4028381 1.00 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EPKMGAACTBP2
SCHEMBL9564540 0.89 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EPKMCTBP2TLR4
SCHEMBL4807375 0.81 KDM4E (0.50) SMN1; SMN2KDM4ECTBP2TLR4XDH
SCHEMBL4216593 0.81 SMN1; SMN2 (0.84) SMN1; SMN2KDM4EPKMCTBP2ALDH1A1
SCHEMBL6169609 0.81 KDM4E (0.50) SMN1; SMN2KDM4EXDHCYP1A2ALDH1A1
SCHEMBL28303440 0.81 SMN1; SMN2 (0.84) SMN1; SMN2KDM4EPKMCTBP2TLR4
SCHEMBL4216595 0.81 SMN1; SMN2 (0.84) SMN1; SMN2KDM4EPKMCTBP2ALDH1A1
SCHEMBL6169610 0.81 KDM4E (0.50) SMN1; SMN2KDM4EXDHCYP1A2ALDH1A1
SCHEMBL4807381 0.81 KDM4E (0.50) SMN1; SMN2KDM4ECTBP2TLR4XDH
SCHEMBL7839551 0.79 HTT (0.60) SMN1; SMN2PKMGAAMAPTHTT

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
EP-1492773-B1 4-(HETEROCYCLYL)-BENZENESULFOXIMINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION CADILA HEALTHCARE LTD (IN) 2009-02-04 EP disclosed
US-7348342-B2 Heterocyclic compounds process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2008-03-25 US disclosed
US-20050277678-A1 Heterocyclic compounds process for their preparation and pharmceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2005-12-15 US disclosed
EP-1492773-A2 4-(HETEROCYCLYL)-BENZENESULFOXIMINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION CADILA HEALTHCARE LTD. (IN) 2005-01-05 EP disclosed
WO-2003087062-A2 4-(HETEROCYCLYL)-BENZENESULFOXIMINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION CADILA HEALTHCARE LIMITED (IN) 2003-10-23 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-20050277678-A1 Heterocyclic compounds process for their preparation and pharmceutical compositions containing them and their use in medicine H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HPGDS, LTC4S SMN1; SMN2 4204/4885KDM4E 2772/4885PKM 396/4885

“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.