SCHEMBL4029497

SCHEMBL4029497

COc1ccc(-c2noc(C)c2SC)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.64
GPBAR1 Q8TDU6 1/20 0.44
PTGS1 P23219 1/20 0.43
PDE3A Q14432 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL14253834 0.79 PTGS2 (0.80) PTGS2PTGS1PDE3A
SCHEMBL2760349 0.78 PTGS2 (1.00) PTGS2PTGS1PDE3A
SCHEMBL4586989 0.73 PTGS2 (0.88) PTGS2PTGS1PDE3A
SCHEMBL2777180 0.72 PTGS2 (0.60) PTGS2GPBAR1PTGS1PDE3AMAPT
SCHEMBL5729316 0.71 PTGS2 (0.60) PTGS2PTGS1PDE3ANPC1MAPT
SCHEMBL11893877 0.71 ALDH1A1 (0.61) PTGS2GPBAR1PTGS1RAB9ASMN1; SMN2
SCHEMBL2723582 0.71 GPBAR1 (0.62) PTGS2GPBAR1MAPTSMN1; SMN2MEN1
SCHEMBL7558640 0.71 MEN1 (0.68) PTGS2GPBAR1SMN1; SMN2MEN1KMT2A
SCHEMBL8574591 0.70 PTGS2 (0.58) PTGS2PTGS1PDE3ANPC1MAPT
SCHEMBL8251665 0.70 PTGS2 (0.57) PTGS2GPBAR1PTGS1PDE3ANPC1

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 PTGS2 27/4885GPBAR1 1192/4885PTGS1 22/4885

“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.