SCHEMBL5652507

SCHEMBL5652507

NC(=O)CC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.52
KMT2A Q03164 3/20 0.50
HSP90AA1 P07900 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
CTSB P07858 1/20 0.44
CTSL P07711 1/20 0.44
LNPEP Q9UIQ6 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
HDAC3 O15379 1/20 0.43
HPGDS O60760 1/20 0.42
TACR1 P25103 1/20 0.42

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
SCHEMBL7046023 0.92 ACE (0.60) ACEKMT2ASMN1; SMN2HPGDCA2
SCHEMBL2246648 0.84 ACE (0.47) ACEKMT2ASMN1; SMN2MEN1TP53
SCHEMBL7709356 0.84 ACE (0.50) ACESMN1; SMN2CA2CA1MME
SCHEMBL4623408 0.82 ACE (0.46) ACESMN1; SMN2CA2CA1MME
SCHEMBL2246727 0.81 HPGDS (0.51) ACECA2CA1CTSBCTSL
SCHEMBL4621148 0.81 MAPT (0.55) ACESMN1; SMN2CA2CA1MME
SCHEMBL4919347 0.81 MME (0.56) SMN1; SMN2MMEECE1CTSBCTSL
SCHEMBL28993693 0.81 MME (0.56) SMN1; SMN2MMEECE1CTSBCTSL
SCHEMBL29682481 0.81 MME (0.56) SMN1; SMN2MMEECE1CTSBCTSL
SCHEMBL4919342 0.81 MME (0.56) SMN1; SMN2MMEECE1CTSBCTSL

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-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ACE 248/4885KMT2A 2364/4885HSP90AA1 2002/4885

“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.