SCHEMBL5407161

SCHEMBL5407161

COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCN(C)C)Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.55
LPAR5 Q9H1C0 2/20 0.55
TDP1 Q9NUW8 2/20 0.53
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 2/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALOX5 P09917 2/20 0.47
LPAR3 Q9UBY5 1/20 0.46
BMP1 P13497 1/20 0.45

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
SCHEMBL5409599 0.95 TDP1 (0.58) LPAR1LPAR5TDP1TP53THRB
SCHEMBL5395922 0.92 TDP1 (0.55) LPAR1LPAR5TDP1TSHRKMT2A
SCHEMBL5409849 0.92 KMT2A (0.49) LPAR1TP53THRBTSHRKMT2A
SCHEMBL5399038 0.91 LPAR1 (0.50) LPAR1LPAR5TDP1TP53THRB
SCHEMBL5418587 0.91 LPAR1 (0.58) LPAR1LPAR5TDP1TSHRKMT2A
SCHEMBL5400875 0.90 LTB4R2 (0.45) LPAR1LPAR5TP53THRBTSHR
SCHEMBL5399052 0.90 LPAR1 (0.50) LPAR1LPAR5TDP1TP53THRB
SCHEMBL5402445 0.90 TDP1 (0.52) LPAR1LPAR5TDP1TSHRKMT2A
SCHEMBL5402609 0.89 LPAR1 (0.59) LPAR1LPAR5TDP1TSHRALOX5
SCHEMBL5412182 0.89 KMT2A (0.47) LPAR1TSHRKMT2AMEN1HDAC1

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 LPAR1 17/4885LPAR5 125/4885TDP1 1939/4885

“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.