SCHEMBL16636028

SCHEMBL16636028

O=C(O)C1CCC(F)(F)CC1C(=O)CCl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.37
SLC6A11 P48066 1/20 0.37
PEPD P12955 1/20 0.33
KCNQ3 O43525 3/20 0.33
KCNQ2 O43526 3/20 0.33
KCNQ4 P56696 2/20 0.32
KCNQ5 Q9NR82 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
CHRM2 P08172 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 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
SCHEMBL10704175 0.83 SLC6A12 (0.45) SLC6A12SLC6A11PEPDKCNQ3KCNQ2
SCHEMBL16635714 0.80 SLC6A12 (0.40) SLC6A12SLC6A11KCNQ3KCNQ2KCNQ4
SCHEMBL16635964 0.79 CHRM2 (0.31) CHRM2CHRM1CHRM3
SCHEMBL16635962 0.79 CHRM2 (0.31) CHRM2CHRM1CHRM3
SCHEMBL17814235 0.74 SLC6A12 (0.41) SLC6A12SLC6A11KCNQ3KCNQ2KCNQ4
SCHEMBL19756870 0.74 SLC6A12 (0.41) SLC6A12SLC6A11KCNQ3KCNQ2KCNQ4
SCHEMBL17803111 0.74 SLC6A12 (0.41) SLC6A12SLC6A11KCNQ3KCNQ2KCNQ4
SCHEMBL17008646 0.73 KCNQ3 (0.36) SLC6A12SLC6A11PEPDKCNQ3KCNQ2
SCHEMBL16617896 0.72 KCNQ3 (0.37) SLC6A12SLC6A11KCNQ3KCNQ2KCNQ4
SCHEMBL16637758 0.72 KCNQ3 (0.37) SLC6A12SLC6A11KCNQ3KCNQ2KCNQ4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 US disclosed
EP-3054947-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
WO-2015054038-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051479-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 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-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ SLC6A12 3618/4885SLC6A11 4205/4885PEPD 53/4885

“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.