SCHEMBL17413625

SCHEMBL17413625

Cc1c(C(=O)Nc2ncnn2C)ccc(C2CC2)c1S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 2/20 0.34
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
CBLB Q13191 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
SLC6A9 P48067 1/20 0.30
POLB P06746 1/20 0.30
PDK2 Q15119 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL17413626 0.87 GAA (0.31) KIF18AGAAHTTKMT2A
SCHEMBL17396495 0.84 POLB (0.33) KIF18APOLBGAAHTTKMT2A
SCHEMBL17413587 0.84 POLB (0.47) KIF18APOLBGAAHTTKMT2A
SCHEMBL16840512 0.83 BCAT2 (0.34) POLBGAAHTTKMT2A
SCHEMBL18944158 0.83 NPC1 (0.36) POLBGAAHTTKMT2A
SCHEMBL17409898 0.82 POLB (0.39) POLBGAAKMT2A
SCHEMBL17413643 0.82 GRM5 (0.32) JAK2JAK1CBLBPDK2GAA
SCHEMBL17413624 0.81 POLB (0.32) POLBGAAHTTKMT2A
SCHEMBL17413595 0.79 PDK2 (0.31) JAK2JAK1PDK2GAAHTT
SCHEMBL149020 0.78 BCAT2 (0.43) POLBGAAHTTKMT2A

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 KIF18A 2346/4885JAK2 2893/4885JAK1 3970/4885

“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.