SCHEMBL3067784

SCHEMBL3067784

COC(=O)Cc1c2n(c3ncccc13)CC(N(C)S(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.83
PTGDR Q13258 10/20 0.64
TBXA2R P21731 8/20 0.61
CYP2C9 P11712 4/20 0.61
CYP3A4 P08684 1/20 0.61
DRD2 P14416 1/20 0.61
GABRA1 P14867 1/20 0.61
ADRA1D P25100 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KCNH2 Q12809 1/20 0.59

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
SCHEMBL12435211 1.00 PTGDR2 (0.83) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL3048470 0.91 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL15280003 0.91 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL3064671 0.88 PTGDR2 (0.83) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL13178463 0.87 PTGDR2 (0.80) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL12347583 0.86 PTGDR2 (0.82) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL12347569 0.86 PTGDR2 (0.82) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL13178443 0.84 PTGDR2 (0.77) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL3069537 0.82 PTGDR2 (0.66) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL1770244 0.80 PTGDR2 (0.81) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197438-B1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUAN (CN) 2015-07-15 EP disclosed
EP-2197438-B1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUAN (CN) 2015-07-15 EP disclosed
US-8772312-B2 Heterocyclic compounds as CRTH2 receptor antagonists CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2014-07-08 US disclosed
US-8772312-B2 Heterocyclic compounds as CRTH2 receptor antagonists CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2014-07-08 US disclosed
US-8772312-B2 Heterocyclic compounds as CRTH2 receptor antagonists CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2014-07-08 US disclosed
US-20100222270-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CHEMETEK, LLC 2010-09-02 US disclosed
US-20100222270-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CHEMETEK, LLC 2010-09-02 US disclosed
EP-2197438-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS Chemietek, Llc (US) 2010-06-23 EP disclosed
WO-2009049021-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS CHEMIETEK, LLC (US) 2009-04-16 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-20100222270-A1 HETEROCYCLIC COMPOUNDS AS CRTH2 RECEPTOR ANTAGONISTS HRH2, NR3C2, HRH1 PTGDR2 52/4885PTGDR 60/4885TBXA2R 12/4885

“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.