SCHEMBL6403690

SCHEMBL6403690

CC(C)(C)[C@H](O)c1cccc(-c2cccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.45
SLC6A9 P48067 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.39
ERN1 O75460 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL6406910 1.00 PRMT6 (0.45) PRMT6SLC6A9KCNH2HDAC1HDAC2
SCHEMBL799291 0.80 PRMT6 (0.50) PRMT6SLC6A9KCNH2HDAC1HDAC2
SCHEMBL6407493 0.78 RXRA (0.45)
SCHEMBL8371383 0.78 RXRA (0.45)
SCHEMBL8371385 0.78 RXRA (0.45)
SCHEMBL27222055 0.77 PRMT6 (0.47) PRMT6SLC6A9KCNH2HDAC1HDAC2
SCHEMBL27231700 0.77 PRMT6 (0.47) PRMT6SLC6A9KCNH2HDAC1HDAC2
SCHEMBL31261569 0.75 PTGS1 (0.49) SLC6A9HDAC1HDAC2HDAC3CYP3A4
SCHEMBL13140935 0.74 PRMT6 (0.49) PRMT6SLC6A9KCNH2HDAC2LTA4H
SCHEMBL38650787 0.74 KAT6A (0.47) PRMT6SLC6A9KCNH2HDAC1HDAC2

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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ PRMT6 4227/4885SLC6A9 4544/4885KCNH2 1151/4885

“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.