SCHEMBL3048468

SCHEMBL3048468

O=C(O)Cc1c2n(c3ncccc13)CC(NCS(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.67
TBXA2R P21731 4/20 0.57
PTGDR Q13258 5/20 0.51
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.48
DRD2 P14416 1/20 0.48
GABRA1 P14867 1/20 0.48
ADRA1D P25100 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL15279997 0.88 PTGDR2 (0.74) PTGDR2TBXA2RPTGDRCYP2C9CYP3A4
SCHEMBL1770878 0.86 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRCYP2C9CYP3A4
SCHEMBL3048599 0.85 PTGDR2 (0.67) PTGDR2TBXA2RPTGDRCYP2C9CYP3A4
SCHEMBL15280015 0.81 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRCYP2C9
SCHEMBL3065519 0.81 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRCYP2C9
SCHEMBL3048470 0.80 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCYP2C9CYP3A4
SCHEMBL15280003 0.80 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCYP2C9CYP3A4
SCHEMBL15280008 0.79 PTGDR2 (0.58) PTGDR2TBXA2R
SCHEMBL22225179 0.79 PTGDR2 (0.58) PTGDR2TBXA2R
SCHEMBL22225428 0.73 PTGDR2 (0.73) PTGDR2TBXA2RPTGDRCYP2C9CYP3A4

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

“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.