SCHEMBL16635682

SCHEMBL16635682

O=C(O)C1CCCCC1c1csc(Oc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
USP2 O75604 1/20 0.39
CPT1A P50416 11/20 0.38
CPT2 P23786 4/20 0.38
CPT1B Q92523 2/20 0.38
ALDH1A1 P00352 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
KMT2A Q03164 1/20 0.36
BTK Q06187 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
LTA4H P09960 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL16635933 0.88 SLC6A2 (0.49) FNTAFNTBCPT1ACPT2CPT1B
SCHEMBL16635935 0.88 SLC6A2 (0.49) FNTAFNTBCPT1ACPT2CPT1B
SCHEMBL16635762 0.77 FNTA (0.43) FNTAFNTBBTKEGLN2LTA4H
SCHEMBL16636110 0.73 HCRTR1 (0.36) CPT1ACPT2CPT1BHCRTR1HCRTR2
SCHEMBL18010297 0.73 HCRTR1 (0.36) CPT1ACPT2CPT1BHCRTR1HCRTR2
SCHEMBL16635958 0.70 LMNA (0.50) CPT1AALDH1A1MEN1POLBKMT2A
SCHEMBL16636034 0.68 ALDH1A1 (0.37) USP2ALDH1A1MEN1POLBCASP6
SCHEMBL16636090 0.68 ALDH1A1 (0.37) USP2ALDH1A1MEN1POLBCASP6
SCHEMBL5343234 0.68 KDM4E (0.45) ALDH1A1POLBKDM4E
SCHEMBL22492062 0.66 KCNQ3 (0.56) ALDH1A1MEN1KMT2A

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 FNTA 2360/4885FNTB 1761/4885USP2 339/4885

“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.