SCHEMBL2617067

SCHEMBL2617067

CN1C[C@@H](COc2ccc(Br)cc2)Oc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 14/20 0.52
PTGDR Q13258 2/20 0.49
TBXA2R P21731 1/20 0.49

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
SCHEMBL2118980 0.85 PTGDR (0.52) PTGIRPTGDRTBXA2R
SCHEMBL2189810 0.84 PTGIR (0.52) PTGIRPTGDRTBXA2R
SCHEMBL5107348 0.84 PTGIR (0.52) PTGIRPTGDRTBXA2R
SCHEMBL2189965 0.83 PTGIR (0.64) PTGIRPTGDRTBXA2R
SCHEMBL2117217 0.82 PTGIR (0.50) PTGIRPTGDRTBXA2R
SCHEMBL2190959 0.82 PTGIR (0.60) PTGIRPTGDRTBXA2R
SCHEMBL2193189 0.81 PTGIR (0.62) PTGIRPTGDRTBXA2R
SCHEMBL14367854 0.79 CASR (0.47) PTGIR
SCHEMBL14367871 0.79 CASR (0.47) PTGIR
SCHEMBL14286466 0.78 PTGIR (0.50) PTGIRPTGDRTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357630-A1 Phenylacetic Acid Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2014-12-04 US disclosed
US-8809524-B2 Phenylacetic acid compound ONO PHARMACEUTICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-20130225808-A1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-29 US disclosed
US-8476266-B2 Phenylacetic acid compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20130028887-A1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2013-01-31 US disclosed
US-8318729-B2 Phenylacetic acid compound ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US disclosed
US-20120094990-A1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 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 (4 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-20130225808-A1 PHENYLACETIC ACID COMPOUND PC, PAH, PDHA2 PTGIR 3123/4885PTGDR 1630/4885TBXA2R 2310/4885
US-20120094990-A1 PHENYLACETIC ACID COMPOUND PC, PAH, PDHA2 PTGIR 3123/4885PTGDR 1630/4885TBXA2R 2310/4885
US-20130028887-A1 PHENYLACETIC ACID COMPOUND PC, PAH, PDHA2 PTGIR 3123/4885PTGDR 1630/4885TBXA2R 2310/4885
US-20140357630-A1 Phenylacetic Acid Compound PC, PAH, PDHA2 PTGIR 3123/4885PTGDR 1630/4885TBXA2R 2310/4885

“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.