SCHEMBL3333225

SCHEMBL3333225

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 3/20 0.39
FOLH1 Q04609 3/20 0.39
ATR Q13535 3/20 0.39
TDP1 Q9NUW8 3/20 0.36
PRKAB2 O43741 3/20 0.36
PRKAG1 P54619 3/20 0.36
PRKAA2 P54646 3/20 0.36
PRKAA1 Q13131 3/20 0.36
PRKAG3 Q9UGI9 3/20 0.36
PRKAG2 Q9UGJ0 3/20 0.36
PRKAB1 Q9Y478 3/20 0.36
MAP2K3 P46734 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
CYP2C9 P11712 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL27503179 0.88 LOXL2 (0.42) CTRCATRTDP1PRKAB2PRKAG1
SCHEMBL2466897 0.88 PRKAB2 (0.47) CTRCATRTDP1PRKAB2PRKAG1
SCHEMBL2465830 0.86 CTRC (0.39) CTRCATRTDP1PRKAB2PRKAG1
SCHEMBL2469964 0.86 SMN1; SMN2 (0.47) CTRCTDP1PRKAB2PRKAG1PRKAA2
SCHEMBL2468156 0.84 CTRC (0.51) CTRCATRTDP1ALDH1A1HPGD
SCHEMBL27523047 0.83 CTRC (0.37) CTRCTDP1PRKAB2PRKAG1PRKAA2
SCHEMBL3329998 0.83 CTRC (0.54) CTRCTDP1MAP2K3ALDH1A1HPGD
SCHEMBL2469999 0.83 MAP2K3 (0.51) CTRCTDP1MAP2K3ALDH1A1HPGD
SCHEMBL16075391 0.82 CTRC (0.39) CTRCATRTDP1MAP2K3ALDH1A1
SCHEMBL16075484 0.82 MCL1 (0.51) MCL1

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 3161/4885FOLH1 649/4885ATR 2098/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CTRC 2328/4885FOLH1 2041/4885ATR 2425/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CTRC 3161/4885FOLH1 649/4885ATR 2098/4885

“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.