SCHEMBL5405685

SCHEMBL5405685

COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.53
NR1H4 Q96RI1 4/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HPGD P15428 3/20 0.45
SLC6A5 Q9Y345 1/20 0.44
LMNA P02545 1/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL5399048 0.94 ALDH1A1 (0.52) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5401075 0.93 RAB9A (0.48) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL5402883 0.93 NR1H4 (0.55) EPHX2NR1H4RAB9ANPC1ALDH1A1
SCHEMBL5402499 0.93 ALDH1A1 (0.54) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5398082 0.93 ALDH1A1 (0.54) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5402275 0.92 HDAC1 (0.55) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL5403427 0.91 RAB9A (0.56) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL5397527 0.91 NR1H4 (0.54) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL5416741 0.90 TP53 (0.49) RAB9ANPC1ALDH1A1HDAC1HDAC6
SCHEMBL5401660 0.90 TP53 (0.49) RAB9ANPC1ALDH1A1HDAC1HDAC6

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 EPHX2 2105/4885NR1H4 546/4885RAB9A 3132/4885

“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.