SCHEMBL1745377

SCHEMBL1745377

CC(=Cc1ccc(O)cc1Cl)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.53
BACE1 P56817 5/20 0.50
AKR1C3 P42330 1/20 0.43
HSD17B10 Q99714 1/20 0.41
APEX1 P27695 2/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
EGFR P00533 2/20 0.37

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
SCHEMBL1745376 1.00 TTR (0.53) TTRBACE1AKR1C3HSD17B10APEX1
SCHEMBL7822855 0.84 GABRA1 (0.56) AKR1C3APEX1GABRA1GABRG2GABRB3
SCHEMBL7822858 0.84 GABRA1 (0.56) AKR1C3APEX1GABRA1GABRG2GABRB3
SCHEMBL27322404 0.83 AKR1C3 (0.43) AKR1C3APEX1GABRA1GABRG2GABRB3
SCHEMBL30532980 0.81 AKR1C3 (0.44) AKR1C3APEX1KDM4EEGFR
SCHEMBL2393452 0.79 BACE1 (0.50) TTRBACE1HSD17B10GABRA1GABRG2
SCHEMBL1416591 0.79 EGFR (0.58) AKR1C3HSD17B10KDM4EMEN1POLB
SCHEMBL10884046 0.78 AKR1C3 (0.44) AKR1C3APEX1GABRA1GABRG2GABRB3
SCHEMBL10884042 0.78 AKR1C3 (0.44) AKR1C3APEX1GABRA1GABRG2GABRB3
SCHEMBL14793890 0.77 ALDH1A1 (0.45) TTRBACE1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 EP disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US disclosed
EP-2757093-A1 GUANIDINOBENZOIC ACID COMPOUND Astellas Pharma Inc. (JP) 2014-07-23 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 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 (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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 TTR 362/4885BACE1 1069/4885AKR1C3 3383/4885

“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.