SCHEMBL8307405

SCHEMBL8307405

Cc1cccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.54
ALDH1A1 P00352 3/20 0.51
ACHE P22303 1/20 0.47
L3MBTL1 Q9Y468 5/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LYN P07948 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS1 P23219 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL12676794 0.95 AR (0.52) ARALDH1A1ACHEL3MBTL1HTT
SCHEMBL12879325 0.91 AR (0.55) ARALDH1A1ACHEL3MBTL1HTT
SCHEMBL11161978 0.86 ALDH1A1 (0.61) ARALDH1A1ACHEL3MBTL1HTT
SCHEMBL4453344 0.86 LMNA (0.54) ARALDH1A1L3MBTL1MAPTMEN1
SCHEMBL21958839 0.82 LMNA (0.46) ARALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9694407 0.80 AR (0.46) ARALDH1A1ACHEL3MBTL1HTT
SCHEMBL29746015 0.80 ALDH1A1 (0.72) ARALDH1A1ACHEL3MBTL1HTT
SCHEMBL456868 0.80 ALDH1A1 (0.72) ARALDH1A1ACHEL3MBTL1HTT
SCHEMBL29398372 0.80 ALDH1A1 (0.72) ARALDH1A1ACHEL3MBTL1HTT
SCHEMBL13879212 0.80 AR (0.46) ARALDH1A1L3MBTL1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
WO-2004101507-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES AND USE THEREOF AS MATRIPTASE INHIBITORS CURACYTE CHEMISTRY GMBH (DE) 2004-11-25 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-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD AR 2926/4885ALDH1A1 1899/4885ACHE 1600/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD AR 2926/4885ALDH1A1 1899/4885ACHE 1600/4885

“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.