SCHEMBL14378239

SCHEMBL14378239

CCS(=O)(=O)Cc1c(F)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
SLC22A12 Q96S37 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP3A4 P08684 1/20 0.36
CD38 P28907 1/20 0.36
KCNH2 Q12809 1/20 0.36
AKR1B1 P15121 1/20 0.35
PSIP1 O75475 1/20 0.34
NFE2L2 Q16236 2/20 0.34
KAT6A Q92794 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FABP4 P15090 1/20 0.34
KIF11 P52732 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL14426975 0.89 HSD11B1 (0.41) HSD11B1SLC22A12SLC6A2SLC6A4STIM1
SCHEMBL2376127 0.85 HSD11B1 (0.44) HSD11B1SLC22A12SLC6A2SLC6A4STIM1
SCHEMBL14378224 0.84 PSIP1 (0.41) HSD11B1AKR1B1PSIP1KDM4EMEN1
SCHEMBL2903593 0.83 HSD11B1 (0.45) HSD11B1SLC22A12SLC6A2SLC6A4STIM1
SCHEMBL4004824 0.81 HSD11B1 (0.44) HSD11B1SLC22A12SLC6A2SLC6A4STIM1
SCHEMBL2376126 0.81 HSD11B1 (0.44) HSD11B1SLC22A12SLC6A2SLC6A4STIM1
SCHEMBL272465 0.81 HSD11B1 (0.44) HSD11B1SLC22A12SLC6A2SLC6A4STIM1
SCHEMBL27688701 0.81 HSD11B1 (0.44) HSD11B1SLC22A12SLC6A2SLC6A4STIM1
SCHEMBL272000 0.80 HSD11B1 (0.43) HSD11B1SLC22A12SLC6A2SLC6A4STIM1
SCHEMBL5407429 0.78 SLC6A2 (0.43) HSD11B1SLC22A12SLC6A2SLC6A4STIM1

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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE HSD11B1 3874/4885SLC22A12 2625/4885SLC6A2 3130/4885

“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.