SCHEMBL5397117

SCHEMBL5397117

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc(Cl)c2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.52
RAB9A P51151 1/20 0.46
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
PLA2G1B P04054 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
THRB P10828 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 1/20 0.41
MDM2 Q00987 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL5397227 0.94 APEX1 (0.50) APEX1RAB9ATP53HPGDGLA
SCHEMBL5394257 0.93 HPGD (0.51) APEX1RAB9ATP53HPGDGLA
SCHEMBL5402383 0.92 ALDH1A1 (0.46) APEX1RAB9ATP53HPGDGLA
SCHEMBL5406600 0.91 RAB9A (0.58) APEX1RAB9ATP53HPGDGLA
SCHEMBL5418495 0.91 RAB9A (0.46) APEX1RAB9ATP53HPGDGLA
SCHEMBL5397193 0.90 RAB9A (0.46) APEX1RAB9ATP53HPGDGLA
SCHEMBL5418249 0.88 KMT2A (0.50) HPGDHTTL3MBTL1PDE10AMEN1
SCHEMBL5418600 0.88 HPGD (0.52) RAB9AHPGDPLA2G1BHTTATG4B
SCHEMBL4934241 0.88 RAB9A (0.52) APEX1RAB9AHPGDHTTTHRB
SCHEMBL5403412 0.88 APEX1 (0.44) APEX1RAB9AHPGDPLA2G1BHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB APEX1 2957/4885RAB9A 3132/4885TP53 32/4885

“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.