SCHEMBL557090

SCHEMBL557090

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ALK Q9UM73 1/20 0.37
USP30 Q70CQ3 2/20 0.37
DPP4 P27487 1/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
GPR119 Q8TDV5 4/20 0.36
TACR1 P25103 1/20 0.35
HRH3 Q9Y5N1 2/20 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
SCHEMBL556467 0.90 RORC (0.40) RORCJAK2JAK1ALKUSP30
SCHEMBL534534 0.84 OPRD1 (0.36) RORC
SCHEMBL556678 0.84 RORC (0.40) RORCJAK2JAK1ALKUSP30
SCHEMBL556101 0.82 RORC (0.41) RORCJAK2JAK1ALKUSP30
SCHEMBL556118 0.82 OPRD1 (0.41) RORCJAK2JAK1DPP4ADAMTS5
SCHEMBL555700 0.80 RORC (0.39) RORCJAK2JAK1ALKUSP30
SCHEMBL557331 0.80 RORC (0.39) RORCJAK2JAK1ALKUSP30
SCHEMBL2352484 0.77 RORC (0.46) RORCJAK2JAK1DPP4GPR119
SCHEMBL29532756 0.77 RORC (0.46) RORCJAK2JAK1DPP4GPR119
SCHEMBL16434896 0.76 ALK (0.47) RORCALKUSP30GPR119TACR1

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 2021/4885JAK2 3495/4885JAK1 4490/4885

“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.