SCHEMBL3578432

SCHEMBL3578432

CS(=O)(=O)c1ccc(SSc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.51
IDE P14735 1/20 0.51
KIF11 P52732 1/20 0.49
PTGS2 P35354 6/20 0.41
CCR2 P41597 4/20 0.41
HRH4 Q9H3N8 1/20 0.40
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
LRRK2 Q5S007 1/20 0.37
PNMT P11086 1/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL172392 0.80 CCR2 (0.58) KIF11PTGS2CCR2LRRK2ALDH1A1
SCHEMBL14242830 0.78 KIF11 (0.51) KIF11PTGS2CCR2HRH4NR1H2
SCHEMBL585873 0.78 KIF11 (0.60) KIF11PTGS2CCR2HRH4
SCHEMBL14478168 0.76 KIF11 (0.50) KIF11PTGS2CCR2HRH4NR1H2
SCHEMBL20969555 0.76 KIF11 (0.54) KIF11PTGS2CCR2HRH4NR1H2
SCHEMBL1577570 0.76 KIF11 (0.50) KIF11PTGS2CCR2HRH4ALDH1A1
SCHEMBL6514474 0.76 FFAR4 (0.54) G6PDIDEKIF11PTGS2HRH4
SCHEMBL22217038 0.76 KIF11 (0.50) G6PDIDEKIF11PTGS2CCR2
Water SCHEMBL27878665 0.76 KIF11 (0.50) G6PDIDEKIF11PTGS2CCR2
SCHEMBL3575971 0.76 G6PD (0.56) G6PDIDEKIF11PTGS2CYP2C9

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 3527/4885KIF11 2749/4885
US-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 G6PD 1287/4885IDE 4634/4885KIF11 4261/4885

“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.