SCHEMBL805214

SCHEMBL805214

CN[C@@H](Cc1ccc(N=O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.56
PPARG P37231 3/20 0.45
MME P08473 7/20 0.43
ACE2 Q9BYF1 5/20 0.42
ACE P12821 4/20 0.42
CPA1 P15085 3/20 0.42
FOLH1 Q04609 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.39

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
SCHEMBL21417606 0.87 FPR2 (0.46) FPR2PPARGMMEACE2ACE
SCHEMBL25101017 0.84 FPR2 (0.44) FPR2L3MBTL1
SCHEMBL31754326 0.83 ADRA2A (0.51)
SCHEMBL13881444 0.81 ALB (0.47) FPR2PPARGMMEACE2ACE
SCHEMBL20816437 0.81 ALB (0.47) FPR2PPARGMMEACE2ACE
SCHEMBL161943 0.81 FOLH1 (0.60) MMEACE2ACECPA1FOLH1
SCHEMBL160418 0.81 FOLH1 (0.60) MMEACE2ACECPA1FOLH1
SCHEMBL22444653 0.81 PPARG (0.47) PPARGMMEACE2ACECPA1
SCHEMBL9886036 0.81 TDP1 (0.55) PPARGMMEACE2ACECPA1
SCHEMBL805206 0.81 TDP1 (0.55) PPARGMMEACE2ACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-10-04 US disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 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 (2 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-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT FPR2 1900/4885PPARG 4377/4885MME 562/4885
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN ENGASE, LGMN, DNPEP FPR2 3899/4885PPARG 4800/4885MME 7/4885

“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.