SCHEMBL17413624

SCHEMBL17413624

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17396495 0.87 POLB (0.33) POLBGAAHTTKMT2ANPC1
SCHEMBL16840512 0.86 BCAT2 (0.34) POLBGAAHTTKMT2ANPC1
SCHEMBL18944158 0.86 NPC1 (0.36) POLBGAAHTTKMT2ANPC1
SCHEMBL17409898 0.85 POLB (0.39) POLBGAAKMT2ANPC1RAB9A
SCHEMBL17413582 0.83 POLB (0.50) POLBGAAHTTKMT2ASMN1; SMN2
SCHEMBL17413651 0.82 GAA (0.31) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17413625 0.81 KIF18A (0.34) POLBGAAHTTKMT2A
SCHEMBL17413596 0.79 GAA (0.32) POLBGAAHTTKMT2ARAB9A
SCHEMBL17413626 0.79 GAA (0.31) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17409897 0.78 NPC1 (0.35) POLBKMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2106/4885GAA 147/4885HTT 1479/4885

“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.