SCHEMBL909126

SCHEMBL909126

CCC(C(=O)O)c1ccc(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.49
GABBR1 Q9UBS5 1/20 0.49
DAO P14920 1/20 0.41
GSK3B P49841 1/20 0.38
F2 P00734 1/20 0.37
PPARA Q07869 1/20 0.37
AKR1C3 P42330 5/20 0.36
AKR1C2 P52895 5/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 1/20 0.36
WRN Q14191 1/20 0.36
KCNQ2 O43526 1/20 0.36
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.34

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
SCHEMBL9266448 0.79 AKR1C3 (0.36) AKR1C3AKR1C2AKR1C1PTGS1WRN
SCHEMBL1678767 0.79 DAO (0.41) DAOGSK3BAKR1C3AKR1C2AKR1C1
SCHEMBL27893992 0.78 GABBR2 (0.47) GABBR2GABBR1DAOGSK3BF2
SCHEMBL27680282 0.76 GABBR2 (0.46) GABBR2GABBR1DAOGSK3BF2
SCHEMBL27484445 0.76 CYP2C9 (0.53) GABBR2GABBR1DAOGSK3BF2
SCHEMBL27601947 0.75 GABBR2 (0.37) GABBR2GABBR1DAOKMT2AALDH1A1
SCHEMBL27572922 0.75 GABBR2 (0.45) GABBR2GABBR1DAOGSK3BF2
SCHEMBL23972469 0.73 GABBR2 (0.50) GABBR2GABBR1DAOGSK3BF2
SCHEMBL23258012 0.73 GABBR2 (0.42) GABBR2GABBR1DAOGSK3BF2
SCHEMBL5521104 0.73 GABBR2 (0.46) GABBR2GABBR1DAOGSK3BF2

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-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 GABBR2 2388/4885GABBR1 3054/4885DAO 3120/4885

“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.