SCHEMBL3604753

SCHEMBL3604753

C[C@H]1[C@@H](C(N)=O)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.30

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
SCHEMBL20594444 1.00 EPHX1 (0.41) EPHX1SMN1; SMN2GAA
SCHEMBL20594697 1.00 EPHX1 (0.41) EPHX1SMN1; SMN2GAA
SCHEMBL20594652 0.83 GABRR1 (0.31)
SCHEMBL17632736 0.83 GABRR1 (0.31)
SCHEMBL20594793 0.83 GABRR1 (0.31)
SCHEMBL20899353 0.77 AR (0.39) SMN1; SMN2
SCHEMBL22052337 0.75 HSD17B10 (0.39) EPHX1SMN1; SMN2
SCHEMBL21338821 0.75 HSD17B10 (0.39) EPHX1SMN1; SMN2
SCHEMBL25299858 0.75 GABRR1 (0.31)
SCHEMBL21296532 0.75 EPHX1 (0.43) EPHX1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 EPHX1 4052/4885SMN1; SMN2 4057/4885GAA 4866/4885

“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.