SCHEMBL18944158

SCHEMBL18944158

CC(=O)c1ccc(C(=O)Nc2ncnn2C)c(C)c1S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.33
BCAT2 O15382 1/20 0.32
AVPR2 P30518 1/20 0.30
GPR27 Q9NS67 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 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 0.89 POLB (0.33) NPC1RAB9ASMN1; SMN2POLBGAA
SCHEMBL16840512 0.88 BCAT2 (0.34) NPC1RAB9ASMN1; SMN2POLBBCAT2
SCHEMBL17409898 0.87 POLB (0.39) NPC1RAB9APOLBAVPR2GPR27
SCHEMBL17413624 0.86 POLB (0.32) NPC1RAB9ASMN1; SMN2POLBGAA
SCHEMBL17413625 0.83 KIF18A (0.34) POLBGAAHTTKMT2A
SCHEMBL17413626 0.81 GAA (0.31) NPC1RAB9AGAAHTTKMT2A
SCHEMBL17409897 0.80 NPC1 (0.35) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL149020 0.80 BCAT2 (0.43) NPC1RAB9APOLBBCAT2GAA
SCHEMBL19107395 0.78 KMT2A (0.39) NPC1RAB9ASMN1; SMN2POLBGAA
SCHEMBL16840515 0.75 P2RX7 (0.31)

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 2 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
US-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 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 (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 NPC1 4809/4885RAB9A 2657/4885SMN1; SMN2 4359/4885

“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.