SCHEMBL5407016

SCHEMBL5407016

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
FFAR1 O14842 2/20 0.41
LPAR1 Q92633 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
AOC3 Q16853 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NR3C2 P08235 1/20 0.39
MLNR O43193 1/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL5395656 0.93 FFAR1 (0.39) RAB9AFFAR1LPAR1HDAC1HDAC6
SCHEMBL5401812 0.92 LTB4R (0.43) FFAR1PTGDR2KMT2AALDH1A1POLB
SCHEMBL5397151 0.90 FFAR1 (0.46) FFAR1LPAR1KMT2AALDH1A1LPAR5
SCHEMBL5403476 0.89 FFAR1 (0.41) FFAR1KMT2AALDH1A1MEN1POLB
SCHEMBL5406332 0.88 RAF1 (0.46) KMT2AALDH1A1MEN1MAPTTHRB
SCHEMBL5401600 0.87 RAB9A (0.43) RAB9ALPAR1PTGDR2HDAC1HDAC6
SCHEMBL5397700 0.86 MAPK8 (0.43) RAB9AFFAR1KMT2AALDH1A1AOC3
SCHEMBL5394588 0.85 POLB (0.43) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL5398708 0.85 POLB (0.47) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL5403373 0.84 ABCB1 (0.43) RAB9ALPAR1PTGDR2HDAC1HDAC6

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 3132/4885FFAR1 65/4885LPAR1 17/4885

“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.