SCHEMBL19209005

SCHEMBL19209005

CC(C)(C)OC(=O)N1CC(=NOCc2ccccc2)CC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.44
HSD11B1 P28845 1/20 0.43
HDAC8 Q9BY41 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ACE P12821 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
PTPN1 P18031 1/20 0.38
STS P08842 1/20 0.38
UCHL1 P09936 1/20 0.37
FKBP1A P62942 1/20 0.37
YAP1 P46937 1/20 0.37

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
SCHEMBL20741005 1.00 KLK7 (0.44) KLK7HSD11B1HDAC8NPC1RAB9A
SCHEMBL20741003 1.00 KLK7 (0.44) KLK7HSD11B1HDAC8NPC1RAB9A
SCHEMBL19245206 0.92 KLK7 (0.43) KLK7HSD11B1HDAC8NPC1RAB9A
SCHEMBL4943086 0.90 MMP1 (0.44) KLK7HSD11B1HDAC8NPC1RAB9A
SCHEMBL4943089 0.90 MMP1 (0.44) KLK7HSD11B1HDAC8NPC1RAB9A
SCHEMBL25523663 0.86 FKBP1A (0.50) KLK7HSD11B1FKBP1A
SCHEMBL7215367 0.83 ATM (0.38) KLK7HSD11B1MMP1MMP3MMP7
SCHEMBL4941806 0.80 MMP1 (0.41) HDAC8MMP1MMP3MMP7MMP13
SCHEMBL4941809 0.80 MMP1 (0.41) HDAC8MMP1MMP3MMP7MMP13
SCHEMBL27534101 0.79 ESR2 (0.47) HSD11B1NPC1RAB9AGPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411359-B1 METHODS OF PREPARING HYDROXYLAMINE DERIVATIVES USEFUL IN THE PREPARATION OF ANTI-INFECTIVE AGENTS MERCK SHARP & DOHME (US) 2021-10-13 EP disclosed
US-10472345-B2 Methods of preparing hydroxylamine derivatives useful in the preparation of anti-infective agents MERCK SHARP & DOHME CORP. (US) 2019-11-12 US disclosed
US-20190055216-A1 METHODS OF PREPARING HYDROXYLAMINE DERIVATIVES USEFUL IN THE PREPARATION OF ANTI-INFECTIVE AGENTS MERCK SHARP & DOHME CORP. (US) 2019-02-21 US disclosed
EP-3411359-A1 METHODS OF PREPARING HYDROXYLAMINE DERIVATIVES USEFUL IN THE PREPARATION OF ANTI-INFECTIVE AGENTS Merck Sharp & Dohme Corp. (US) 2018-12-12 EP disclosed
WO-2017136254-A1 METHODS OF PREPARING HYDROXYLAMINE DERIVATIVES USEFUL IN THE PREPARATION OF ANTI-INFECTIVE AGENTS MERCK SHARP & DOHME CORP. (US) 2017-08-10 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 (2 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-20190055216-A1 METHODS OF PREPARING HYDROXYLAMINE DERIVATIVES USEFUL IN THE PREPARATION OF ANTI-INFECTIVE AGENTS HAAO, OGA, HNMT KLK7 2892/4885HSD11B1 1536/4885HDAC8 647/4885
US-10472345-B2 Methods of preparing hydroxylamine derivatives useful in the preparation of anti-infective agents HAAO, OGA, HNMT KLK7 2892/4885HSD11B1 1536/4885HDAC8 647/4885

“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.