SCHEMBL5043930

SCHEMBL5043930

C=C(CC(=O)OC)C(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.47
NAPRT Q6XQN6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 4/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
GPR174 Q9BXC1 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
CDK9 P50750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL5176170 0.82 SMN1; SMN2 (0.50) LMNAKMT2ANAPRTHSD17B10HTT
SCHEMBL15661401 0.80 MAPT (0.53) KMT2ANAPRTHSD17B10MAPTHPGD
SCHEMBL5175604 0.79 HDAC3 (0.49) KMT2ANAPRTHSD17B10MAPTHPGD
SCHEMBL5176164 0.79 KDM1A (0.47) LMNAKMT2ANAPRTHSD17B10HTT
SCHEMBL10204717 0.78 SMN1; SMN2 (0.50) LMNAKMT2ANAPRTHSD17B10HTT
SCHEMBL307601 0.78 MAPT (0.59) LMNAKMT2ANAPRTHSD17B10HTT
SCHEMBL15650174 0.77 GAA (0.51) KMT2ANAPRTHSD17B10HTTMAPT
SCHEMBL11133832 0.77 SMN1; SMN2 (0.48) LMNAKMT2ANAPRTHSD17B10HTT
SCHEMBL3408221 0.75 GAA (0.47) KMT2ANAPRTHSD17B10MAPTHPGD
SCHEMBL5517693 0.75 NAPRT (0.53) KMT2ANAPRTHSD17B10MAPTGPR174

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345082-B2 Phosphinic acids HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1685142-A1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-08-02 EP disclosed
WO-2005044830-A1 PHOSPHINIC ACIDS DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 WO disclosed
US-20050107341-A1 Phosphinic acids F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 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-20050107341-A1 Phosphinic acids BACE1, PSEN1, PSEN2 LMNA 2548/4885KMT2A 2196/4885NAPRT 791/4885

“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.