SCHEMBL14793738

SCHEMBL14793738

CCCCOc1ccc(N(C)CC(=O)O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.50
▸ THRA P10827 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ PLA2G2A P14555 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ PLA2G4B P0C869 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL16355763 0.82 MAOB (0.54) ALDH1A1ATM
SCHEMBL14793734 0.75 THRB (0.47) THRBTHRAKDM4EALDH1A1ATM
SCHEMBL1750089 0.74 THRB (0.60) THRBTHRAPLA2G2APLA2G4BTP53
SCHEMBL22311333 0.73 THRB (0.63) THRBTHRAKDM4EALDH1A1ATM
SCHEMBL14793787 0.72 FFAR1 (0.54) THRBTHRAFFAR1FFAR4LMNA
SCHEMBL9172131 0.72 PLA2G2A (0.61) THRBTHRAPLA2G2ABLMKEAP1
SCHEMBL3417202 0.71 THRB (0.64) THRBTHRAPLA2G2APLA2G4BTP53
SCHEMBL29492898 0.71 THRB (0.64) THRBTHRAPLA2G2APLA2G4BTP53
SCHEMBL8876412 0.71 THRB (0.60) THRBTHRAKDM4EALDH1A1PLA2G2A
SCHEMBL15808899 0.71 PTPN11 (0.58) THRBTHRAKDM4EALDH1A1FFAR1

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-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 — — EP disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 — — US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 — — US disclosed
EP-2757093-A1 GUANIDINOBENZOIC ACID COMPOUND Astellas Pharma Inc. (JP) 2014-07-23 — — EP disclosed
WO-2013039187-A1 GUANIDINOBENZOIC ACID COMPOUND アステラス製薬株式会社 (JP) 2013-03-21 — — WO 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 THRB 682/4885THRA 1109/4885KDM4E 3316/4885

“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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