SCHEMBL5037362

SCHEMBL5037362

C=CC(=O)Nc1cccc(OCC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 3/20 0.56
TGM2 P21980 3/20 0.55
NR1H4 Q96RI1 1/20 0.54
LMNA P02545 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
PLAU P00749 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.51
EGFR P00533 4/20 0.51
ITK Q08881 4/20 0.51
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50

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
SCHEMBL28310779 0.85 EGFR (0.58) MAP2K7TGM2EGFRITKTHRB
SCHEMBL1383792 0.83 TGM2 (0.66) SMN1; SMN2KMT2ATGM2LMNANPC1
SCHEMBL31069810 0.83 TGM2 (0.66) SMN1; SMN2KMT2ATGM2LMNANPC1
SCHEMBL14707651 0.83 EGFR (0.59) MAP2K7TGM2EGFRITKTHRB
SCHEMBL30132480 0.83 MAP2K7 (0.52) MAP2K7HTTHSD17B10TGM2LMNA
SCHEMBL20554761 0.83 MAP2K7 (0.52) MAP2K7HTTHSD17B10TGM2LMNA
SCHEMBL21443568 0.82 EGFR (0.80) EGFRITK
SCHEMBL8548307 0.81 TGM2 (0.68) MAP2K7HTTSMN1; SMN2KMT2ATGM2
SCHEMBL10264545 0.81 SMN1; SMN2 (0.67) HTTHSD17B10SMN1; SMN2KMT2ANR1H4
SCHEMBL28208041 0.81 HTT (0.65) HTTHSD17B10SMN1; SMN2KMT2ANR1H4

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 MAP2K7 3972/4885HTT 988/4885HSD17B10 831/4885

“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.