SCHEMBL3333222

SCHEMBL3333222

Nc1cc(-c2ccc(C=S)cc2)nc(C(=O)O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
MAP2K3 P46734 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMO O15229 2/20 0.34
MCL1 Q07820 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
ATR Q13535 1/20 0.33
DHODH Q02127 2/20 0.33
EPRS1 P07814 2/20 0.33

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
SCHEMBL2468156 0.84 CTRC (0.51) CTRCTDP1ALDH1A1PTGESALOX5
SCHEMBL3329998 0.83 CTRC (0.54) CTRCTDP1MAP2K3ALDH1A1HPGD
SCHEMBL2469999 0.83 MAP2K3 (0.51) CTRCTDP1MAP2K3ALDH1A1HPGD
SCHEMBL3328551 0.82 KMO (0.38) CTRCTDP1ALDH1A1PTGESALOX5
SCHEMBL2466247 0.82 DHODH (0.49) CTRCTDP1ALDH1A1HPGDHSD17B10
SCHEMBL2466881 0.82 DHODH (0.49) CTRCTDP1ALDH1A1ALOX5KMO
SCHEMBL16075484 0.82 MCL1 (0.51) MCL1DHODHEPRS1
SCHEMBL16075391 0.82 CTRC (0.39) CTRCTDP1MAP2K3ALDH1A1PTGES
SCHEMBL2464804 0.82 CTRC (0.33) CTRCTDP1ALDH1A1PTGESALOX5
Ethylene SCHEMBL27521038 0.81 POLB (0.43) CTRCTDP1MAP2K3HSD17B10MEN1

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 CTRC 3161/4885TDP1 281/4885MAP2K3 2373/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CTRC 2328/4885TDP1 3914/4885MAP2K3 2728/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CTRC 3161/4885TDP1 281/4885MAP2K3 2373/4885

“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.