SCHEMBL5037103

SCHEMBL5037103

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
MAPT P10636 6/20 0.67
LMNA P02545 3/20 0.67
PKM P14618 2/20 0.67
HTT P42858 2/20 0.67
TGM2 P21980 3/20 0.66
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
HSP90AA1 P07900 1/20 0.65
GAA P10253 2/20 0.63
EGFR P00533 1/20 0.63
RAB9A P51151 1/20 0.62
KDR P35968 2/20 0.61
TEK Q02763 1/20 0.61
EPHB4 P54760 1/20 0.61
TP53 P04637 1/20 0.59
XBP1 P17861 1/20 0.57
MAOB P27338 1/20 0.56

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
SCHEMBL22732030 0.87 TGM2 (0.55) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL25437589 0.85 ALDH1A1 (0.70) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL27746168 0.85 ALDH1A1 (0.70) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL22719598 0.85 EGFR (0.59) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL22719778 0.85 EGFR (0.59) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL29505048 0.85 EGFR (0.59) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL12431488 0.85 EGFR (0.69) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL29505069 0.85 EGFR (0.59) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL21856347 0.84 RXFP1 (0.61) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL13154807 0.84 TGM2 (0.59) ALDH1A1MAPTLMNAPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190293641-A1 ASSAY IMPERIAL COLLEGE INNOVATIONS, LTD. (GB) 2019-09-26 US disclosed
CN-100497355-C Hypophosphorous acid derivatives as beta-secretase inhibitors for the treatment of Alzheimer's disease HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
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
CN-1878781-A Hypophosphorous acid derivatives as beta-secretase inhibitors for the treatment of Alzheimer's disease HOFFMANN LA ROCHE (CH) 2006-12-13 CN 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 ALDH1A1 1510/4885MAPT 740/4885LMNA 2548/4885

“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.