SCHEMBL17486403

SCHEMBL17486403

CC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)[C@@H](C(=O)OCc1ccccc1)C2

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.50
HDAC8 Q9BY41 10/20 0.49
NPSR1 Q6W5P4 1/20 0.45
ACE P12821 1/20 0.43

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
SCHEMBL20143637 0.92 PTPN1 (0.50) PTPN1HDAC8NPSR1ACE
SCHEMBL29727828 0.88 NPSR1 (0.53) PTPN1HDAC8NPSR1
SCHEMBL8233145 0.88 NPSR1 (0.53) PTPN1HDAC8NPSR1
SCHEMBL7228628 0.84 ACE (0.59) PTPN1HDAC8NPSR1ACE
SCHEMBL7228636 0.84 ACE (0.59) PTPN1HDAC8NPSR1ACE
SCHEMBL17486452 0.83 PTPN1 (0.67) PTPN1HDAC8
SCHEMBL3615808 0.81 HDAC8 (0.49) PTPN1HDAC8NPSR1ACE
SCHEMBL6787776 0.80 FKBP1A (0.49) PTPN1
SCHEMBL204506 0.80 FKBP1A (0.49) PTPN1
SCHEMBL204505 0.80 FKBP1A (0.49) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PTPN1 662/4885HDAC8 1831/4885NPSR1 3679/4885

“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.