SCHEMBL17486367

SCHEMBL17486367

CC(=O)c1ccc(C[C@H](N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 3/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TPH1 P17752 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ XIAP P98170 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
SCHEMBL15876043 0.89 SLC7A5 (0.56) SLC7A5KMT2ALMNATPH1MEN1
SCHEMBL3531988 0.89 ANPEP (0.50) SLC7A5KMT2ATPH1ACACBEPHX2
SCHEMBL28220739 0.89 SLC7A5 (0.56) SLC7A5KMT2ALMNATPH1MEN1
SCHEMBL28393119 0.87 LOXL2 (0.51) SLC7A5HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL17978114 0.86 SLC7A5 (0.45) SLC7A5PPARGPPARALMNAACACB
SCHEMBL6666822 0.86 SLC7A5 (0.45) SLC7A5LMNAEPHX2ALDH1A1LTA4H
SCHEMBL630703 0.86 SLC7A5 (0.57) SLC7A5
SCHEMBL7464405 0.86 SLC7A5 (0.57) SLC7A5
SCHEMBL594571 0.86 SLC7A5 (0.57) SLC7A5
SCHEMBL3203564 0.86 SLC7A5 (0.45) SLC7A5LMNAEPHX2ALDH1A1LTA4H

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 SLC7A5 1890/4885KMT2A 2839/4885PPARG 225/4885

“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.

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