SCHEMBL5630477

SCHEMBL5630477

CC1(C(F)(F)F)SC(NCC2CCCCC2)=NC1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.34
HDAC4 P56524 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 1/20 0.34
PTGS2 P35354 3/20 0.33
CA2 P00918 1/20 0.33
MLYCD O95822 1/20 0.31
HSD11B1 P28845 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
SCHEMBL1605603 0.85 HSD11B1 (0.33) HDAC6HDAC4HDAC3HDAC1PTGS2
SCHEMBL1386708 0.82 KMT2A (0.39) CA2HSD11B1
SCHEMBL1606320 0.80 NPSR1 (0.35) PTGS2HSD11B1
SCHEMBL5015320 0.78 HSD11B1 (0.42) CA2HSD11B1
SCHEMBL14440420 0.77 CA2 (0.34) CA2HSD11B1
SCHEMBL1605585 0.77 HSD11B1 (0.37) CA2HSD11B1
SCHEMBL14344693 0.77 MEN1 (0.33) HSD11B1
SCHEMBL10249079 0.77 MEN1 (0.33) HSD11B1
SCHEMBL5023746 0.77 MEN1 (0.33) HSD11B1
SCHEMBL14531582 0.77 MEN1 (0.33) HSD11B1

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-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2006-06-29 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-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 HDAC6 987/4885HDAC4 852/4885HDAC3 519/4885

“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.