SCHEMBL1603176

SCHEMBL1603176

Cc1c(C(c2ccncc2)S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.56
PTGDR Q13258 2/20 0.46
PTGIR P43119 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL1466409 0.93 PTGDR2 (0.56) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL1921782 0.90 PTGDR2 (0.57) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL1467977 0.89 PTGDR2 (0.62) PTGDR2PTGDRCYP2C9
SCHEMBL1465815 0.86 PTGDR2 (0.50) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL1599312 0.86 PTGDR2 (0.56) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL1466412 0.85 PTGDR2 (0.51) PTGDR2PTGDRCYP2C9
SCHEMBL3723720 0.84 PTGDR2 (0.52) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL3792480 0.84 PTGDR2 (0.52) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL1465979 0.83 PTGDR2 (0.46) PTGDR2PTGDRCYP2C9
SCHEMBL1422452 0.83 PTGDR2 (0.52) PTGDR2PTGDRPTGIRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246030-A1 Compounds Having CRTH2 Antagonist Activity ATOPIX THERAPEUTICS LTD (GB) 2015-09-03 US disclosed
US-8980927-B2 Compounds having CRTH2 antagonist activity ATOPIX THERAPEUTICS LIMITED (GB) 2015-03-17 US disclosed
US-20140039012-A1 Compounds Having CRTH2 Antagonist Activity ATOPIX THERAPEUTICS LIMITED (GB) 2014-02-06 US disclosed
US-8563536-B2 Compounds having CRTH2 antagonist activity ATOPIX THERAPEUTICS LIMITED (GB) 2013-10-22 US disclosed
EP-2250161-B1 COMPOUNDS HAVING CRTH2 ANTAGONIST ACTIVITY ATOPIX THERAPEUTICS LTD (GB) 2013-10-16 EP disclosed
US-20110123547-A1 Compounds Having CRTH2 Antagonist Activity OXAGEN LIMITED (GB) 2011-05-26 US disclosed
US-7919512-B2 Compounds having CRTH2 antagonist activity OXAGEN LIMITED (GB) 2011-04-05 US disclosed
US-20100266535-A1 Compounds Having CRTH2 Antagonist Activity OXAGEN LIMITED (GB) 2010-10-21 US disclosed
US-7750027-B2 Compounds having CRTH2 antagonist activity OXAGEN LIMITED (GB) 2010-07-06 US disclosed
US-20100063103-A1 Compounds Having CRTH2 Antagonist Activity OXAGEN LIMITED (GB) 2010-03-11 US 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 (5 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-20140039012-A1 Compounds Having CRTH2 Antagonist Activity NR3C2, HRH2, NR2C2 PTGDR2 214/4885PTGDR 386/4885PTGIR 1320/4885
US-20100266535-A1 Compounds Having CRTH2 Antagonist Activity NR3C2, HRH2, NR2C2 PTGDR2 214/4885PTGDR 386/4885PTGIR 1320/4885
US-20150246030-A1 Compounds Having CRTH2 Antagonist Activity NR3C2, HRH2, NR2C2 PTGDR2 218/4885PTGDR 386/4885PTGIR 1323/4885
US-20100063103-A1 Compounds Having CRTH2 Antagonist Activity HRH2, NR3C2, HRH4 PTGDR2 233/4885PTGDR 394/4885PTGIR 1326/4885
US-20110123547-A1 Compounds Having CRTH2 Antagonist Activity NR3C2, HRH2, NR2C2 PTGDR2 214/4885PTGDR 386/4885PTGIR 1320/4885

“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.