SCHEMBL13088293

SCHEMBL13088293

CC(C)(C)[S+]([O-])NC1(c2ccc(C#N)cc2)COC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.32
KIF11 P52732 1/20 0.32
PGR P06401 3/20 0.31
ABCC9 O60706 2/20 0.31
KCNJ11 Q14654 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 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
SCHEMBL1534753 0.81 TAAR1 (0.32)
SCHEMBL2173845 0.81
SCHEMBL9919833 0.81 OPRM1 (0.35) ALDH1A1
SCHEMBL19128118 0.79 CYP1A2 (0.45)
SCHEMBL25365005 0.76 MMP13 (0.34) PGRALDH1A1
SCHEMBL29523581 0.76 MMP13 (0.34) PGRALDH1A1
SCHEMBL28612850 0.76 GAA (0.34)
SCHEMBL19183292 0.76 SLC6A4 (0.30)
SCHEMBL1534614 0.75 CA1 (0.38)
SCHEMBL25355763 0.75 LMNA (0.33)

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-20100261766-A1 Phenyl-Oxetanyl-Derivatives NOVARTIS AG (CH) 2010-10-14 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-20100261766-A1 Phenyl-Oxetanyl-Derivatives SSB, OAT, OTC HDAC6 1794/4885KIF11 4862/4885PGR 1483/4885

“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.