SCHEMBL4676430

SCHEMBL4676430

CC[C@H](N)C(=O)NNC(=O)NCc1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.52
RIPK1 Q13546 1/20 0.49
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.41
P2RX7 Q99572 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
LMNA P02545 1/20 0.38
CTSC P53634 1/20 0.38

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
SCHEMBL4676452 1.00 ANPEP (0.52) ANPEPRIPK1EPHX2KMT2AALDH1A1
SCHEMBL4678494 0.84 ALDH1A1 (0.60) ANPEPEPHX2KMT2AALDH1A1NPC1
SCHEMBL4677405 0.84 ALDH1A1 (0.60) ANPEPEPHX2KMT2AALDH1A1NPC1
SCHEMBL4677836 0.82 TPH1 (0.46) KMT2AALDH1A1MAPTCTSC
SCHEMBL4680712 0.82 TPH1 (0.46) KMT2AALDH1A1MAPTCTSC
SCHEMBL4677444 0.82 LMNA (0.42) ANPEPKMT2AALDH1A1NPC1RAB9A
SCHEMBL4680722 0.82 LMNA (0.42) ANPEPKMT2AALDH1A1NPC1RAB9A
SCHEMBL4677631 0.82 MEN1 (0.53) ANPEPKMT2AMAPT
SCHEMBL4678271 0.82 MEN1 (0.53) ANPEPKMT2AMAPT
SCHEMBL4676295 0.81 MEN1 (0.53) KMT2AALDH1A1MAPTTP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP claimed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US claimed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP claimed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO claimed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO 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-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 ANPEP 112/4885RIPK1 500/4885EPHX2 4455/4885

“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.