SCHEMBL4873192

SCHEMBL4873192

C=CCOc1cc(COCC(F)(F)F)cc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
FFAR1 O14842 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MRGPRX4 Q96LA9 9/20 0.39
NR4A2 P43354 1/20 0.38
MAPT P10636 1/20 0.36

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
SCHEMBL4871386 0.87 MAPT (0.41) ALDH1A1KDM4ENPC1RAB9AFFAR1
SCHEMBL4879634 0.83 KDM4E (0.46) ALDH1A1KDM4ENPC1RAB9AFFAR1
SCHEMBL4876609 0.81 RAB9A (0.45) ALDH1A1KDM4ENPC1RAB9AFFAR1
SCHEMBL4875441 0.80 RAB9A (0.48) ALDH1A1KDM4ENPC1RAB9AFFAR1
SCHEMBL644797 0.78 FFAR1 (0.49) ALDH1A1KDM4ENPC1RAB9AFFAR1
SCHEMBL20838307 0.78 MEN1 (0.51) ALDH1A1KDM4ENPC1RAB9AFFAR1
SCHEMBL4879486 0.75 GPBAR1 (0.51) ALDH1A1KDM4ENPC1RAB9AFFAR1
SCHEMBL4873239 0.75 KDM4E (0.45) ALDH1A1KDM4ENPC1RAB9AFFAR1
SCHEMBL28963021 0.75 FFAR1 (0.41) ALDH1A1KDM4ENPC1RAB9AFFAR1
SCHEMBL18311238 0.74 KAT6A (0.52) ALDH1A1KDM4ENPC1RAB9AFFAR1

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 ALDH1A1 2631/4885KDM4E 3337/4885NPC1 41/4885

“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.