SCHEMBL5408657

SCHEMBL5408657

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccc(C)o2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
LPAR1 Q92633 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
AOC3 Q16853 1/20 0.38
MLNR O43193 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
POLB P06746 1/20 0.37
BMP1 P13497 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5409396 0.87 RAB9A (0.43) RAB9ALPAR1MEN1KMT2ATDP1
SCHEMBL5409603 0.85 TDP1 (0.36) LPAR1KMT2ATDP1HDAC1HDAC6
SCHEMBL5408664 0.84 RAB9A (0.53) RAB9AMEN1KMT2APOLBTSHR
SCHEMBL5409762 0.83 MEN1 (0.37) RAB9ALPAR1MEN1KMT2ATSHR
SCHEMBL5402272 0.83 MEN1 (0.49) RAB9ALPAR1MEN1KMT2ALPAR5
SCHEMBL5401600 0.82 RAB9A (0.43) RAB9ALPAR1MEN1KMT2ATDP1
SCHEMBL5407016 0.82 RAB9A (0.43) RAB9ALPAR1MEN1KMT2AHDAC1
SCHEMBL5412086 0.82 RAB9A (0.45) RAB9ALPAR1MEN1KMT2AHDAC1
SCHEMBL5402518 0.82 MEN1 (0.47) RAB9ALPAR1MEN1KMT2ATDP1
SCHEMBL5399052 0.81 LPAR1 (0.50) RAB9ALPAR1MEN1KMT2ATDP1

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 3132/4885LPAR1 17/4885MEN1 891/4885

“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.