SCHEMBL4871386

SCHEMBL4871386

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KAT6A Q92794 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 1/20 0.36
FFAR1 O14842 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
SCHEMBL4873192 0.87 ALDH1A1 (0.51) MAPTMEN1KMT2AMRGPRX4ALDH1A1
SCHEMBL4877619 0.84 NPC1 (0.41) MAPTMRGPRX4ALDH1A1NPC1RAB9A
SCHEMBL2528357 0.84 NPC1 (0.42) MAPTMRGPRX4ALDH1A1NPC1RAB9A
SCHEMBL2528507 0.80 NPC1 (0.40) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL644117 0.79 MAPT (0.44) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL20395893 0.79 MAPT (0.44) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL4878536 0.79 KDM4E (0.39) MAPTALDH1A1NPC1RAB9AKDM4E
Hydrogen Sulfide SCHEMBL20395882 0.78 MAPT (0.43) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL15780544 0.78 CNR1 (0.47) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL642424 0.77 CA12 (0.56) MAPTALDH1A1NPC1RAB9AKDM4E

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 MAPT 37/4885MEN1 306/4885CYP3A4 893/4885

“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.