SCHEMBL3744702

SCHEMBL3744702

COC(=O)C1=CC[C@@H](c2cc(F)c(F)cc2F)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
PDE4B Q07343 2/20 0.32
MAP3K5 Q99683 2/20 0.31
GAA P10253 1/20 0.30
EPHX2 P34913 1/20 0.30
DPP4 P27487 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL3742846 1.00 KDM1A (0.36) KDM1ANFKB1NFKB2RELAMAOB
SCHEMBL3744124 0.90 KDM1A (0.37) KDM1ANFKB1NFKB2RELAMAOB
SCHEMBL3745175 0.90 KDM1A (0.37) KDM1ANFKB1NFKB2RELAMAOB
SCHEMBL3752901 0.90 KDM1A (0.37) KDM1ANFKB1NFKB2RELAMAOB
SCHEMBL3749958 0.83 KDM1A (0.37) KDM1ANFKB1NFKB2RELAMAOB
SCHEMBL3749956 0.83 KDM1A (0.37) KDM1ANFKB1NFKB2RELAMAOB
SCHEMBL3749962 0.83 KDM1A (0.37) KDM1ANFKB1NFKB2RELAMAOB
SCHEMBL3750755 0.82 KDM1A (0.36) KDM1ANFKB1NFKB2RELAMAOB
SCHEMBL3750757 0.82 KDM1A (0.36) KDM1ANFKB1NFKB2RELAMAOB
SCHEMBL3752660 0.82 KDM1A (0.36) KDM1ANFKB1NFKB2RELAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 KDM1A 2597/4885NFKB1 1795/4885NFKB2 2729/4885

“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.