SCHEMBL17413587

SCHEMBL17413587

Cc1c(C(=O)Nc2nnnn2C)ccc(C2CC2)c1S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 1/20 0.33
KIF18A Q8NI77 2/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
MAP3K5 Q99683 4/20 0.31
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL17413568 0.88 NPC1 (0.44) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410531 0.84 POLB (0.53) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17413625 0.84 KIF18A (0.34) POLBKIF18AGAAHTTKMT2A
SCHEMBL17395276 0.83 POLB (0.47) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410942 0.82 POLB (0.60) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410748 0.82 POLB (0.51) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410944 0.81 POLB (0.50) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17413582 0.81 POLB (0.50) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17395288 0.81 POLB (0.46) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17413640 0.80 POLB (0.45) POLBCYP1A2CYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988347-B2 Herbicidally active arylcarboxylic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
EP-3160945-B1 HERBICIDAL ARYLCARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2018-01-31 EP disclosed
US-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 US disclosed
WO-2016001073-A1 HERBICIDALLY ACTIVE ARYLCARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-07 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 (1 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-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides DDT, AADAC, AOX1 POLB 2106/4885CYP1A2 49/4885CYP2C9 94/4885

“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.