SCHEMBL17433745

SCHEMBL17433745

CC(C)(C)OC(=O)N1Cc2cc(C(=O)O)ccc2C[C@@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.53
HDAC8 Q9BY41 14/20 0.48
NR1H2 P55055 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
SCHEMBL19460727 0.86 PTPN1 (0.54) PTPN1HDAC8
SCHEMBL4012499 0.86 PTPN1 (0.54) PTPN1HDAC8
SCHEMBL30254985 0.86 PTPN1 (0.54) PTPN1HDAC8
SCHEMBL864823 0.86 PTPN1 (0.54) PTPN1HDAC8
SCHEMBL29773931 0.86 PTPN1 (0.54) PTPN1HDAC8
SCHEMBL6508024 0.86 PTPN1 (0.54) PTPN1HDAC8
SCHEMBL19460728 0.86 PTPN1 (0.54) PTPN1HDAC8
SCHEMBL29502321 0.86 PTPN1 (0.54) PTPN1HDAC8
SCHEMBL4471748 0.85 PTPN1 (0.53) PTPN1HDAC8NR1H2
SCHEMBL14279605 0.85 HDAC8 (0.53) PTPN1HDAC8

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-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-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
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

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 1831/4885NR1H2 1427/4885

“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.