SCHEMBL3294402

SCHEMBL3294402

Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
KMO O15229 1/20 0.56
HSP90AA1 P07900 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
SLC6A4 P31645 6/20 0.51
HTR2A P28223 5/20 0.51
KCNH2 Q12809 5/20 0.51
ACHE P22303 1/20 0.50
AR P10275 2/20 0.47
GAA P10253 1/20 0.47
SLC6A3 Q01959 3/20 0.47
SLC6A2 P23975 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
LYN P07948 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL10013917 0.83 ALDH1A1 (0.80) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL14159539 0.83 ALDH1A1 (0.80) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL29398372 0.83 ALDH1A1 (0.72) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL456868 0.83 ALDH1A1 (0.72) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL29746015 0.83 ALDH1A1 (0.72) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL3296777 0.82 ALDH1A1 (0.67) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL257844 0.82 HSP90AA1 (0.57) ALDH1A1KMOHSP90AA1L3MBTL1HTT
SCHEMBL29377828 0.81 ALDH1A1 (0.69) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL1688852 0.81 ALDH1A1 (0.69) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL21820786 0.81 HSP90AA1 (0.71) KMOHSP90AA1SLC6A4HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389216-B1 AVERMECTINS SUBSTITUTED IN THE 4\"-POSITION HAVING PESTICIDAL PROPERTIES MERIAL INC (US) 2017-02-22 EP disclosed
EP-2316830-A2 N-sulphonylated amino acid derivatives and their use as matriptase inhibitors The Medicines Company (Leipzig) GmbH (DE) 2011-05-04 EP disclosed
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-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-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed
US-7605134-B2 Pesticides MERIAL LIMITED (US) 2009-10-20 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
US-7169782-B2 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-30 US disclosed
US-7169782-B2 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-30 US disclosed
US-20060105970-A1 Avermectins substituted in the 4\"-position having pesticidal properties SYNGENTA CROP PROTECTION, INC. 2006-05-18 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 (3 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 ALDH1A1 1899/4885KMO 184/4885HSP90AA1 3269/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD ALDH1A1 1899/4885KMO 184/4885HSP90AA1 3269/4885
US-20060105970-A1 Avermectins substituted in the 4\"-position having pesticidal properties DDT, C3AR1, C9 ALDH1A1 4386/4885KMO 1890/4885HSP90AA1 4432/4885

“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.