SCHEMBL12614636

SCHEMBL12614636

COC(=O)C(NC=S)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.50
CA12 O43570 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
TSHR P16473 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
ANPEP P15144 1/20 0.33
THRB P10828 1/20 0.33
BIRC2 Q13490 1/20 0.33

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
SCHEMBL28216925 0.83 TSHR (0.34) CA14CA12SMN1; SMN2TSHR
SCHEMBL3201079 0.80 CA14 (0.52) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL8610890 0.80 CA14 (0.52) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL24166930 0.78 CA14 (0.50) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL28216922 0.77 ALDH1A1 (0.44) SMN1; SMN2GAA
SCHEMBL13204470 0.72 CA14 (0.58) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL6966533 0.72 CA14 (0.58) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL7274381 0.72 CA14 (0.58) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL12673365 0.70 CA12 (0.56) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL13808473 0.70 CA14 (0.56) CA14CA12SMN1; SMN2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BAYER CROPSCIENCE AG (DE) 2011-05-26 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-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BCHE, PNMT, TMBIM6 CA14 4714/4885CA12 4787/4885SMN1; SMN2 1073/4885

“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.