SCHEMBL5400985

SCHEMBL5400985

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccc(C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
APEX1 P27695 1/20 0.48
TP53 P04637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MMP13 P45452 3/20 0.47
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARA Q07869 2/20 0.43
AGTR1 P30556 1/20 0.43
PPARG P37231 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
SCHEMBL5411828 0.96 RAB9A (0.62) RAB9AALDH1A1HPGDKDM4EUSP2
SCHEMBL5394900 0.95 RAB9A (0.64) RAB9AALDH1A1HPGDKDM4EUSP2
SCHEMBL5397871 0.95 RAB9A (0.61) RAB9AALDH1A1HPGDKDM4EUSP2
SCHEMBL5398996 0.94 RAB9A (0.67) RAB9AALDH1A1HPGDKDM4EUSP2
SCHEMBL5409471 0.93 RAB9A (0.62) RAB9AALDH1A1HPGDKDM4EUSP2
SCHEMBL5412126 0.93 RAB9A (0.51) RAB9AALDH1A1HPGDKDM4EUSP2
SCHEMBL5409640 0.92 RAB9A (0.58) RAB9AALDH1A1HPGDKDM4EUSP2
SCHEMBL5397127 0.92 RAB9A (0.58) RAB9AALDH1A1HPGDKDM4EUSP2
SCHEMBL5399552 0.92 RAB9A (0.67) RAB9AALDH1A1HPGDKDM4EUSP2
SCHEMBL5416693 0.91 RAB9A (0.48) RAB9AALDH1A1HPGDKDM4ETP53

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 RAB9A 3132/4885ALDH1A1 1256/4885HPGD 1078/4885

“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.