SCHEMBL2190445

SCHEMBL2190445

CN1C[C@@H](COS(C)(=O)=O)Oc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.46
CASR P41180 1/20 0.43
CA2 P00918 1/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL5100424 1.00 PTGIR (0.46) PTGIRCASRCA2HTR1A
SCHEMBL730472 0.83 PTGIR (0.46) PTGIRCA2
SCHEMBL9455313 0.83 GRM2 (0.49) CASRHTR1A
SCHEMBL14367854 0.81 CASR (0.47) PTGIRCASRHTR1A
SCHEMBL14367871 0.81 CASR (0.47) PTGIRCASRHTR1A
SCHEMBL14463199 0.81 PTGIR (0.35) PTGIR
SCHEMBL1545420 0.78 CA2 (0.55) CA2
SCHEMBL7982000 0.78 CA2 (0.55) CA2
SCHEMBL2544576 0.78 CA2 (0.55) CA2
SCHEMBL31343616 0.76 GRM2 (0.52) PTGIRCASRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486491-B1 CARBOXYLIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-07-13 EP disclosed
US-7351705-B2 Carboxylic acid compounds and a pharmaceutical agent comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed
US-7135495-B2 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-14 US disclosed
US-20060194864-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. 2006-08-31 US disclosed
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
US-20050004097-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1486491-A1 CARBOXYOIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-15 EP disclosed
EP-1424335-A1 INDOLE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP 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 (3 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-20060194864-A1 Indole derivatives IDO1, IDO2, PTGIR PTGIR 3/4885CASR 611/4885CA2 2700/4885
US-20050004097-A1 Indole derivatives IDO1, IDO2, PTGIR PTGIR 3/4885CASR 611/4885CA2 2700/4885
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient UACA, CPA3, HCAR1 PTGIR 30/4885CASR 231/4885CA2 190/4885

“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.