SCHEMBL17433744

SCHEMBL17433744

O=C(O)c1ccc2c(c1)CN(C(=O)O)[C@@H](C(=O)O)C2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
SRD5A2 P31213 3/20 0.43
AGTR2 P50052 1/20 0.42
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
ACE P12821 3/20 0.42
SRD5A1 P18405 2/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17433720 0.83 OPRD1 (0.57) AGTR2OPRM1OPRD1OPRK1ACE
SCHEMBL20522865 0.83 OPRD1 (0.57) AGTR2OPRM1OPRD1OPRK1ACE
SCHEMBL20522864 0.83 OPRD1 (0.57) AGTR2OPRM1OPRD1OPRK1ACE
SCHEMBL17433745 0.83 PTPN1 (0.53)
SCHEMBL23361203 0.82 POLB (0.50) SRD5A2AGTR2OPRM1OPRD1OPRK1
SCHEMBL20720152 0.82 OPRD1 (0.47) AGTR2OPRM1OPRD1OPRK1ACE
SCHEMBL9849102 0.82 POLB (0.50) SRD5A2AGTR2OPRM1OPRD1OPRK1
SCHEMBL7156807 0.82 OPRD1 (0.47) AGTR2OPRM1OPRD1OPRK1ACE
SCHEMBL8908771 0.79 ACE (0.61) ALDH1A1AGTR2ACEPOLBTDP1
SCHEMBL3840630 0.79 ACE (0.61) ALDH1A1AGTR2ACEPOLBTDP1

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-2975023-B1 GUANIDINOBENZOIC ACID ESTER COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-05-30 EP disclosed
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 US disclosed
EP-2975023-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND Astellas Pharma Inc. (JP) 2016-01-20 EP disclosed
CN-105051008-A Guanidinobenzoic acid ester compound ASTELLAS PHARMA INC 2015-11-11 CN 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-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 ALDH1A1 1931/4885SRD5A2 3449/4885AGTR2 275/4885

“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.