SCHEMBL3247995

SCHEMBL3247995

CCCCc1cc2cccc(C(=O)O)c2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.48
STING1 Q86WV6 2/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KAT8 Q9H7Z6 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40

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
SCHEMBL6139382 0.85 STING1 (0.48) TLR8STING1MAPTMAOATSHR
SCHEMBL16290214 0.83 MAPT (0.49) TLR8MAPT
SCHEMBL28259938 0.79 STING1 (0.48) STING1MAPTMAOACA12CA1
SCHEMBL9550388 0.78 TLR8 (0.39) TLR8STING1MAPT
SCHEMBL3249588 0.77 MTNR1A (0.48) TLR8
SCHEMBL10550007 0.77 STING1 (0.46) STING1MAOACA12CA1CA2
SCHEMBL5723174 0.74 TLR8 (0.50) TLR8MAPTCA12CA1CA2
SCHEMBL3306573 0.73 MAOA (0.50) MAOACA12CA1CA2CA3
SCHEMBL17724009 0.72 MAOA (0.51) MAPTMAOACA12CA1CA2
SCHEMBL679426 0.71 TSHR (0.49) CA12CA9KAT8GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315709-B1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
US-6949583-B2 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI-SYNTHELABO (FR) 2005-09-27 US disclosed
US-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI (FR) 2003-12-04 US disclosed
EP-1315709-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2003-06-04 EP disclosed
WO-2002016339-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 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-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same NR2C2, NR4A2, NR5A2 TLR8 658/4885STING1 4348/4885MAPT 4310/4885

“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.