SCHEMBL3575971

SCHEMBL3575971

CS(=O)(=O)c1ccc(SSc2ccc(S(C)(=O)=O)cc2F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.56
IDE P14735 1/20 0.56
PTGS2 P35354 11/20 0.47
PTGS1 P23219 2/20 0.47
CA2 P00918 3/20 0.42
KIF11 P52732 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL30041432 0.79 PTGS2 (0.56) PTGS2PTGS1KIF11
SCHEMBL646030 0.79 PTGS2 (0.56) PTGS2PTGS1KIF11
SCHEMBL2769293 0.76 G6PD (0.56) G6PDIDEPTGS2PTGS1CA2
SCHEMBL3578432 0.76 G6PD (0.51) G6PDIDEPTGS2KIF11ALDH1A1
SCHEMBL1691701 0.76 SLC22A12 (0.51) G6PDIDEPTGS2PTGS1CA2
SCHEMBL3757908 0.75 PTGS2 (0.54) PTGS2KIF11
SCHEMBL2642850 0.75 PTGS2 (0.47) G6PDIDEPTGS2CA2KIF11
SCHEMBL24691352 0.73 PTGS2 (0.46) G6PDIDEPTGS2CA2KIF11
SCHEMBL221279 0.73 CA1 (0.68) G6PDIDEPTGS2CA2KIF11
SCHEMBL355740 0.73 ENPP2 (0.50) PTGS2CA2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
EP-2094266-A1 CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2009-09-02 EP disclosed
US-20080306109-A1 Indolizine Derivatives as Ligands of the Crth2 Receptor ARGENTA DISCOVERY LIMITED (GB) 2008-12-11 US disclosed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 WO disclosed
EP-1931663-A1 IMDOLIZINE DERIVATIVES AS LIGANDS OF THE CRTH2 RECEPTOR Argenta Discovery Limited (GB) 2008-06-18 EP disclosed
WO-2007031747-A1 IMDOLIZINE DERIVATIVES AS LIGANDS OF THE CRTH2 RECEPTOR ARGENTA DISCOVERY LIMITED (GB) 2007-03-22 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 (2 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-20080306109-A1 Indolizine Derivatives as Ligands of the Crth2 Receptor HRH4, HRH2, HRH3 G6PD 3461/4885IDE 3527/4885PTGS2 896/4885
US-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 G6PD 1287/4885IDE 4634/4885PTGS2 426/4885

“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.