SCHEMBL3328554

SCHEMBL3328554

Cc1ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)cc1CS

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.38
DCLRE1B Q9H816 2/20 0.36
DCLRE1A Q6PJP8 1/20 0.35
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.33
PTGER4 P35408 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
COPS5 Q92905 1/20 0.33
ALPL P05186 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DHODH Q02127 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL27521702 0.85 MDM2 (0.36) KMOTP53MDM2PTGER4DHODH
SCHEMBL2470066 0.85 ALPL (0.46) KMOTP53PTGER4ALPLCA9
SCHEMBL2466297 0.84 KMO (0.53) KMOALPLCA9TDP1DHODH
SCHEMBL20727085 0.81 KMO (0.51) KMO
SCHEMBL2463131 0.81 KMO (0.46) KMODHODH
SCHEMBL3333225 0.81 CTRC (0.39) KMOTDP1MAPT
SCHEMBL3328551 0.80 KMO (0.38) KMOMDM2PTGER4ALPLCA9
SCHEMBL2466247 0.79 DHODH (0.49) KMOTP53ALPLTDP1DHODH
SCHEMBL27502846 0.79 KMO (0.40) KMOCOPS5TDP1DHODHMAPT
SCHEMBL2468329 0.78 KMO (0.43) KMOCOPS5DHODHMAPT

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-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
US-6784137-B2 SUCH AS 5,6-DICHLOROPYRIDINE-2-CARBOXYLIC ACID-N-OXIDE FOR PREEMERGENCE APPLICATION DOW AGROSCIENCES LLC 2004-08-31 US disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 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 (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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 KMO 2242/4885DCLRE1B 1970/4885DCLRE1A 939/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT KMO 256/4885DCLRE1B 4262/4885DCLRE1A 4460/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 KMO 2242/4885DCLRE1B 1970/4885DCLRE1A 939/4885

“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.