SCHEMBL556101

SCHEMBL556101

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.41
ALK Q9UM73 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TACR1 P25103 1/20 0.39
DPP4 P27487 1/20 0.38
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP14 P50281 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 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
SCHEMBL556678 0.84 RORC (0.40) RORCALKJAK2JAK1TACR1
SCHEMBL556467 0.84 RORC (0.40) RORCALKJAK2JAK1TACR1
SCHEMBL556118 0.84 OPRD1 (0.41) RORCJAK2JAK1TACR1DPP4
SCHEMBL557090 0.82 RORC (0.39) RORCALKJAK2JAK1TACR1
SCHEMBL555700 0.82 RORC (0.39) RORCALKJAK2JAK1TACR1
SCHEMBL557331 0.82 RORC (0.39) RORCALKJAK2JAK1TACR1
SCHEMBL2352484 0.79 RORC (0.46) RORCJAK2JAK1TACR1DPP4
SCHEMBL29532756 0.79 RORC (0.46) RORCJAK2JAK1TACR1DPP4
SCHEMBL16434896 0.79 ALK (0.47) RORCALKTACR1GPR119KMT2A
SCHEMBL16434862 0.78 ALK (0.46) RORCALKTACR1GPR119SLC6A3

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 2021/4885ALK 3321/4885JAK2 3495/4885

“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.