SCHEMBL556983

SCHEMBL556983

CC[C@@]1(C(=O)O)CN(C(=O)O)CC[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.37
HSD11B1 P28845 1/20 0.36
KDM1A O60341 4/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA1H O95180 1/20 0.36
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
RORC P51449 1/20 0.35
TACR3 P29371 1/20 0.35
USP5 P45974 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL533997 1.00 ADAMTS5 (0.37) ADAMTS5HSD11B1KDM1AALDH1A1MEN1
SCHEMBL2393325 0.79 KDM1A (0.42) KDM1AALDH1A1
SCHEMBL17474521 0.73 RORC (0.47) MEN1KMT2ADPP4RORC
SCHEMBL3418716 0.71 USP5 (0.50) HSD11B1USP30USP5HDAC6
SCHEMBL698962 0.69 GNAI3 (0.33)
SCHEMBL28798183 0.69 EPHX2 (0.31) ALDH1A1EPHX2
SCHEMBL14920363 0.66 ADAMTS5 (0.43) ADAMTS5HSD11B1KDM1AUSP30PDE4A
SCHEMBL534911 0.66 ALDH1A1 (0.47) ADAMTS5ALDH1A1PDE4APDE4BPDE4C
SCHEMBL28190260 0.66 CCR2 (0.36) KDM1A
SCHEMBL28466812 0.65 ADAMTS5 (0.44) ADAMTS5HSD11B1KDM1ADPP4DPP7

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 ADAMTS5 496/4885HSD11B1 661/4885KDM1A 2899/4885

“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.