SCHEMBL4032238

SCHEMBL4032238

CSc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.74
PTGS2 P35354 14/20 0.70
PDPK1 O15530 1/20 0.57
MAPT P10636 1/20 0.53
CYP2C9 P11712 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL9088240 0.89 PTGS2 (0.64) PTGS1PTGS2PDPK1CYP2C9CYP1A2
SCHEMBL25150243 0.88 PTGS2 (0.72) PTGS1PTGS2PDPK1CYP2C9CYP3A4
SCHEMBL9273738 0.88 PTGS2 (0.72) PTGS1PTGS2CYP2C9CYP1A2CYP3A4
SCHEMBL9208582 0.87 PTGS2 (0.74) PTGS1PTGS2PDPK1CYP2C9CYP3A4
SCHEMBL5147701 0.87 PTGS2 (0.71) PTGS1PTGS2PDPK1CYP2C9CYP1A2
SCHEMBL6451398 0.85 PTGS1 (1.00) PTGS1PTGS2PDPK1MAPT
SCHEMBL8641532 0.85 PTGS2 (0.69) PTGS1PTGS2MAPTCYP2C9
SCHEMBL9201352 0.85 PTGS2 (0.68) PTGS1PTGS2CYP2C9
SCHEMBL5344449 0.85 PTGS1 (0.80) PTGS1PTGS2PDPK1MAPTCYP2C9
SCHEMBL7461307 0.84 PTGS2 (0.67) PTGS1PTGS2PDPK1CYP2C9CYP1A2

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 PTGS1 22/4885PTGS2 27/4885PDPK1 1710/4885

“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.