SCHEMBL556678

SCHEMBL556678

CC(C)(C)OC(=O)N1CC[C@](O)(c2ccc(F)c(F)c2)[C@@H](C=O)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.40
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
ALK Q9UM73 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
DPP4 P27487 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GPR119 Q8TDV5 4/20 0.37
USP30 Q70CQ3 1/20 0.36
SCN9A Q15858 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL557331 0.90 RORC (0.39) RORCMMP2MMP13MMP14ADAMTS5
SCHEMBL555700 0.90 RORC (0.39) RORCMMP2MMP13MMP14ADAMTS5
SCHEMBL556467 0.85 RORC (0.40) RORCMMP2MMP13MMP14ADAMTS5
SCHEMBL556101 0.84 RORC (0.41) RORCMMP2MMP13MMP14ADAMTS5
SCHEMBL557090 0.84 RORC (0.39) RORCMMP2MMP13MMP14ADAMTS5
SCHEMBL556118 0.83 OPRD1 (0.41) RORCMMP2MMP13MMP14ADAMTS5
SCHEMBL2352484 0.79 RORC (0.46) RORCDPP4JAK2JAK1GPR119
SCHEMBL29532756 0.79 RORC (0.46) RORCDPP4JAK2JAK1GPR119
SCHEMBL16434896 0.78 ALK (0.47) RORCALKHRH3GPR119USP30
SCHEMBL16434862 0.77 ALK (0.46) RORCALKGPR119USP30TACR1

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 RORC 2021/4885MMP2 191/4885MMP13 800/4885

“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.