SCHEMBL4029668

SCHEMBL4029668

CSc1ccc(-c2c(-c3ccccc3)noc2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.50
PTGS1 P23219 7/20 0.50
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
MT-CO2 P00403 3/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
CA3 P07451 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 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
SCHEMBL6168295 0.83 PTGS2 (0.75) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4028144 0.82 PTGS2 (0.50) PTGS2PTGS1ESR1ESR2MT-CO2
SCHEMBL6169671 0.78 PTGS2 (0.46) PTGS2PTGS1ESR1ESR2MT-CO2
SCHEMBL14163954 0.78 ESR1 (0.68) PTGS2PTGS1ESR1ESR2MT-CO2
SCHEMBL6167767 0.78 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL22827965 0.77 PTGS2 (0.56) PTGS2PTGS1ESR1ESR2MT-CO2
SCHEMBL22827980 0.77 ESR1 (0.49) PTGS2PTGS1ESR1ESR2MT-CO2
SCHEMBL4807004 0.77 ESR1 (0.56) PTGS2PTGS1ESR1ESR2MT-CO2
SCHEMBL22827973 0.74 PTGS1 (0.46) PTGS2PTGS1ESR1ESR2MT-CO2
SCHEMBL8476862 0.74 PTGS2 (0.59) PTGS2PTGS1ESR1ESR2MT-CO2

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 27/4885PTGS1 22/4885ESR1 4627/4885

“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.