SCHEMBL4200563

SCHEMBL4200563

N#Cc1cc(C(=O)O)ccc1OCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
XDH P47989 9/20 0.49
PTGDR2 Q9Y5Y4 3/20 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
SCHEMBL13515782 0.85 HPGD (0.53) ALDH1A1HPGDXDHPTGDR2
SCHEMBL1402221 0.84 ALDH1A1 (0.74) ALDH1A1HPGDXDH
SCHEMBL25315406 0.83 ALDH1A1 (0.72) ALDH1A1HPGDXDH
SCHEMBL3951141 0.83 PTGDR2 (0.67) ALDH1A1HPGDPTGDR2
SCHEMBL177429 0.82 ALDH1A1 (0.84) ALDH1A1HPGDXDH
SCHEMBL20597744 0.82 ALDH1A1 (0.71) ALDH1A1HPGDXDH
SCHEMBL2947402 0.81 PTGDR2 (0.56) ALDH1A1HPGDPTGDR2
SCHEMBL4595546 0.81 PTGDR2 (0.68) HPGDPTGDR2
SCHEMBL4594627 0.81 PTGDR2 (0.61) ALDH1A1HPGDXDHPTGDR2
SCHEMBL3499253 0.81 PTGDR2 (0.59) XDHPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023918-A1 PROCESS FOR PREPARING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE SEKI MASAHIKO 2009-01-22 US disclosed
US-7439368-B2 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-10-21 US disclosed
US-20060173188-A1 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-08-03 US disclosed
EP-1640373-A1 PROCESS FOR PRODUCING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 2006-03-29 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 (2 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-20060173188-A1 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative F12, F3, F11 ALDH1A1 661/4885HPGD 669/4885XDH 85/4885
US-20090023918-A1 PROCESS FOR PREPARING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE F12, F3, F11 ALDH1A1 690/4885HPGD 827/4885XDH 116/4885

“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.