SCHEMBL2087219

SCHEMBL2087219

COc1cccc(N(C)C(=O)C(C#N)=Cc2cn(CC(=O)O)c3ccccc23)c1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.79
ABCB1 P08183 1/20 0.59
ABCC1 P33527 1/20 0.59
SLC16A1 P53985 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL2086469 0.90 PTGDR2 (0.84) PTGDR2ABCB1SLC16A1MEN1KMT2A
SCHEMBL2086472 0.90 PTGDR2 (0.84) PTGDR2ABCB1SLC16A1MEN1KMT2A
SCHEMBL5532133 0.89 MEN1 (0.65) PTGDR2ABCB1ABCC1SLC16A1MEN1
SCHEMBL2089341 0.89 PTGDR2 (1.00) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL2089346 0.89 PTGDR2 (1.00) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL2089186 0.88 PTGDR2 (0.84) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL5531897 0.88 PTGDR2 (0.61) PTGDR2ABCB1ABCC1SLC16A1MEN1
SCHEMBL2087863 0.88 PTGDR2 (0.82) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL2086105 0.88 PTGDR2 (0.82) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL2088268 0.88 PTGDR2 (0.82) PTGDR2MEN1KMT2AALDH1A1

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-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US claimed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP claimed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 US claimed
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP claimed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO claimed
US-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 US disclosed
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP disclosed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT PTGDR2 2853/4885ABCB1 3082/4885ABCC1 3440/4885

“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.