SCHEMBL5553608

SCHEMBL5553608

C=C(C(N)=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL757647 0.76 CES2 (0.37) CES2CES1HTTLMNATP53
SCHEMBL5750495 0.72 CES2 (0.54) CES2CES1TDP1HTTLMNA
SCHEMBL9147301 0.71 CES2 (0.42) CES2CES1TDP1HTTLMNA
SCHEMBL161645 0.71 CES2 (0.42) CES2CES1TDP1HTTLMNA
SCHEMBL1703382 0.69 CES2 (0.40) CES2CES1HTTLMNATP53
SCHEMBL12544632 0.69 CES2 (0.40) CES2CES1HTTLMNATP53
Bromide SCHEMBL29086958 0.69 CES2 (0.40) CES2CES1HTTLMNATP53
SCHEMBL30368072 0.69 HDAC1 (0.37) TDP1
SCHEMBL27970460 0.69 ALDH1A1 (0.42) CES2CES1HTTLMNATP53
SCHEMBL20379488 0.68 TDP1 (0.35) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773310-A2 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-04-18 EP claimed
WO-2006025924-A2 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-03-09 WO claimed
US-20250032398-A1 HIGH MOLECULAR WEIGHT BLOCK COPOLYMERS COMPRISING REPEATING UNITS DERIVED FROM MONOMERS COMPRISING LACTAM AND ACRYLOYL MOIETIES AND HYDROPHILIC MONOMERS, COMPOSITIONS, AND APPLICATIONS THEREOF ISP INVESTMENTS LLC (US) 2025-01-30 US disclosed
US-20190382519-A1 CROSS-LINKED BLOCK COPOLYMERS COMPRISING REPEATING UNITS DERIVED FROM MONOMERS COMPRISING LACTAM AND ACRYLOYL MOIETIES, COMPOSITIONS, AND APPLICATIONS THEREOF ISP INVESTMENTS LLC (US) 2019-12-19 US disclosed
WO-2018132548-A1 CROSS-LINKED BLOCK COPOLYMERS COMPRISING REPEATING UNITS DERIVED FROM MONOMERS COMPRISING LACTAM AND ACRYLOYL MOIETIES, COMPOSITIONS, AND APPLICATIONS THEREOF ISP INVESTMENTS LLC (US) 2018-07-19 WO disclosed
EP-1773310-A2 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-04-18 EP disclosed
WO-2006025924-A2 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-03-09 WO 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 (2 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-20190382519-A1 CROSS-LINKED BLOCK COPOLYMERS COMPRISING REPEATING UNITS DERIVED FROM MONOMERS COMPRISING LACTAM AND ACRYLOYL MOIETIES, COMPOSITIONS, AND APPLICATIONS THEREOF ADSL, ABHD6, APH1B CES2 264/4885CES1 1116/4885TDP1 2594/4885
US-20250032398-A1 HIGH MOLECULAR WEIGHT BLOCK COPOLYMERS COMPRISING REPEATING UNITS DERIVED FROM MONOMERS COMPRISING LACTAM AND ACRYLOYL MOIETIES AND HYDROPHILIC MONOMERS, COMPOSITIONS, AND APPLICATIONS THEREOF PCNA, ADSL, APH1B CES2 504/4885CES1 1649/4885TDP1 2979/4885

“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.