SCHEMBL4859367

SCHEMBL4859367

COC(=O)COc1ccc(NCC(=O)OC(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
AR P10275 1/20 0.41
MAPT P10636 4/20 0.40
S1PR1 P21453 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL4859929 0.90 POLB (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4859373 0.86 FFAR1 (0.46) MAPTFFAR1ALDH1A1
SCHEMBL1549431 0.84 HTT (0.47) KDM4EHTTALDH1A1LMNAPPARG
SCHEMBL4852883 0.84 APP (0.45) MAPTKDM4EMEN1KMT2ACYP2C9
SCHEMBL4853455 0.83 MTNR1A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4856533 0.83 ITGB1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4851598 0.83 LMNA (0.51) MAPTKDM4EMEN1HTTKMT2A
SCHEMBL1550128 0.81 AR (0.46) ARMAPTS1PR1KDM4EMEN1
SCHEMBL18740444 0.80 ALDH1A1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1433121 0.78 EPHX2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG PSEN1 3138/4885PSEN2 3868/4885APH1B 2834/4885

“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.