SCHEMBL4876369

SCHEMBL4876369

C=CCOc1cc(C(=O)O)cc(-c2cnco2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
CREBBP Q92793 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
PORCN Q9H237 1/20 0.38
FFAR1 O14842 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4872480 0.87 GPR119 (0.39) BRD4BRD2CREBBPGPR119PORCN
SCHEMBL4881407 0.79 NPC1 (0.38) GPR119PORCNNPC1RAB9AKDM4E
SCHEMBL20838307 0.77 MEN1 (0.51) FFAR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL644797 0.77 FFAR1 (0.49) FFAR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL4881273 0.77 GLRA3 (0.42) BRD4BRD2CREBBPFFAR1NPC1
SCHEMBL10415202 0.73 MEN1 (0.46) FFAR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL4879486 0.71 GPBAR1 (0.51) FFAR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL475579 0.71 KDM4E (0.43) GPR119NPC1RAB9AKDM4EALDH1A1
SCHEMBL4880394 0.70 FFAR1 (0.44) FFAR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2526307 0.70 FFAR1 (0.44) BRD4BRD2CREBBPFFAR1NPC1

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 1 patent. 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

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 BRD4 299/4885BRD2 560/4885CREBBP 1784/4885

“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.