SCHEMBL5402665

SCHEMBL5402665

CCOc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc(OC)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.61
HPGD P15428 3/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
APEX1 P27695 1/20 0.49
MMP13 P45452 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
PPARA Q07869 1/20 0.43
ROCK2 O75116 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ROCK1 Q13464 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
SCHEMBL5399721 0.95 RAB9A (0.54) RAB9AHPGDKMT2AALDH1A1KDM4E
SCHEMBL5396038 0.95 RAB9A (0.59) RAB9AHPGDKMT2AALDH1A1KDM4E
SCHEMBL5401008 0.95 RAB9A (0.52) RAB9AHPGDKMT2AALDH1A1KDM4E
SCHEMBL5398996 0.95 RAB9A (0.67) RAB9AHPGDKMT2AALDH1A1KDM4E
SCHEMBL5394900 0.93 RAB9A (0.64) RAB9AHPGDKMT2AALDH1A1KDM4E
SCHEMBL5399552 0.93 RAB9A (0.67) RAB9AHPGDKMT2AALDH1A1KDM4E
SCHEMBL5398729 0.92 RAB9A (0.50) RAB9AHPGDKMT2AALDH1A1KDM4E
SCHEMBL5392202 0.92 RAB9A (0.55) RAB9AHPGDKMT2AALDH1A1KDM4E
SCHEMBL5408530 0.92 RAB9A (0.55) RAB9AHPGDKMT2AALDH1A1KDM4E
SCHEMBL5397730 0.92 RAB9A (0.49) RAB9AHPGDKMT2AALDH1A1KDM4E

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 3132/4885HPGD 1078/4885KMT2A 2451/4885

“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.