SCHEMBL4880394

SCHEMBL4880394

C=CCOc1cc(C(=O)O)cc(C(=O)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PLA2G2A P14555 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KAT6A Q92794 1/20 0.36
LMNA P02545 1/20 0.36
DUSP26 Q9BV47 1/20 0.35
HTT P42858 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL6342936 0.93 GAA (0.41) FFAR1GAATSHRNPC1RAB9A
SCHEMBL644797 0.92 FFAR1 (0.49) FFAR1GAATSHRNPC1RAB9A
SCHEMBL28845206 0.90 GAA (0.41) FFAR1GAATSHRNPC1RAB9A
SCHEMBL20838307 0.88 MEN1 (0.51) FFAR1GAATSHRNPC1RAB9A
SCHEMBL2526307 0.84 FFAR1 (0.44) FFAR1GAATSHRNPC1RAB9A
SCHEMBL2532297 0.83 ADRB2 (0.40) GAATSHRNPC1RAB9AKDM4E
SCHEMBL4879486 0.82 GPBAR1 (0.51) FFAR1GAATSHRNPC1RAB9A
SCHEMBL2525888 0.81 FFAR1 (0.45) FFAR1NPC1RAB9AKDM4EMEN1
SCHEMBL4878837 0.81 PLA2G2A (0.47) FFAR1GAANPC1RAB9AKDM4E
SCHEMBL18311238 0.81 KAT6A (0.52) FFAR1GAATSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP FFAR1 1949/4885GAA 16/4885TSHR 4686/4885

“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.