SCHEMBL16636064

SCHEMBL16636064

O=C(O)C1CCCCC1C(=O)CCl

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.55
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
GRM4 Q14833 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL17237810 0.80 TSHR (0.37) PEPDALDH1A1LMNA
SCHEMBL17237808 0.80 TSHR (0.37) PEPDALDH1A1LMNA
SCHEMBL20680 0.80 PEPD (0.54) PEPDALDH1A1GRM4LMNA
SCHEMBL4818635 0.80 PEPD (0.54) PEPDALDH1A1GRM4LMNA
SCHEMBL2515289 0.80 PEPD (0.54) PEPDALDH1A1GRM4LMNA
SCHEMBL38660911 0.80 PEPD (0.54) PEPDALDH1A1GRM4LMNA
SCHEMBL150817 0.80 PEPD (0.54) PEPDALDH1A1GRM4LMNA
SCHEMBL1805083 0.80 PEPD (0.54) PEPDALDH1A1GRM4LMNA
SCHEMBL1680973 0.80 PEPD (0.54) PEPDALDH1A1GRM4LMNA
SCHEMBL150816 0.80 PEPD (0.54) PEPDALDH1A1GRM4LMNA

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-2015051479-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015054038-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 PEPD 53/4885ALDH1A1 4582/4885CASP1 401/4885

“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.