SCHEMBL5406852

SCHEMBL5406852

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
LPAR1 Q92633 8/20 0.58
POLB P06746 2/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
TSHR P16473 3/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
LPAR5 Q9H1C0 1/20 0.50
USP2 O75604 1/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL5418587 0.95 LPAR1 (0.58) TDP1LPAR1POLBGAAMAPT
SCHEMBL5402854 0.91 TDP1 (0.59) TDP1LPAR1TSHRHDAC1HDAC6
SCHEMBL5409599 0.90 TDP1 (0.58) TDP1LPAR1POLBGAAMAPT
SCHEMBL5409522 0.90 TDP1 (0.58) TDP1LPAR1TSHRHDAC1HDAC6
SCHEMBL5391937 0.89 ALDH1A1 (0.51) LPAR1POLBGAAMAPTTSHR
SCHEMBL5409899 0.89 LPAR1 (0.58) TDP1LPAR1TSHRHDAC1HDAC6
SCHEMBL5418271 0.88 LPAR1 (0.53) TDP1LPAR1POLBGAAMAPT
SCHEMBL5397479 0.87 HDAC1 (0.61) TDP1LPAR1MAPTTSHRHDAC1
SCHEMBL5407093 0.87 HDAC1 (0.61) TDP1LPAR1MAPTTSHRHDAC1
SCHEMBL5401485 0.87 LPAR1 (0.53) TDP1LPAR1POLBGAAMAPT

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 TDP1 1939/4885LPAR1 17/4885POLB 527/4885

“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.