SCHEMBL5402445

SCHEMBL5402445

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
LPAR1 Q92633 6/20 0.52
LPAR5 Q9H1C0 2/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX5 P09917 2/20 0.48
TSHR P16473 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B2 P37059 1/20 0.45
PDK1 Q15118 1/20 0.45
LIMK2 P53671 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
SCHEMBL5409522 0.93 TDP1 (0.58) TDP1LPAR1LPAR5KMT2AMEN1
SCHEMBL6232981 0.92 KMT2A (0.60) TDP1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL5392897 0.91 KMT2A (0.50) TDP1LPAR1LPAR5KMT2AMEN1
SCHEMBL5402294 0.90 LTB4R (0.49) KMT2AMEN1ALDH1A1
SCHEMBL5407161 0.90 LPAR1 (0.55) TDP1LPAR1LPAR5KMT2AMEN1
SCHEMBL5402272 0.90 MEN1 (0.49) LPAR1LPAR5KMT2AMEN1ALDH1A1
SCHEMBL5395922 0.90 TDP1 (0.55) TDP1LPAR1LPAR5KMT2AMEN1
SCHEMBL5418587 0.89 LPAR1 (0.58) TDP1LPAR1LPAR5KMT2AMEN1
SCHEMBL5398801 0.89 KMT2A (0.54) TDP1LPAR1KMT2AMEN1ALDH1A1
SCHEMBL5402609 0.87 LPAR1 (0.59) TDP1LPAR1LPAR5ALOX5TSHR

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 17/4885LPAR5 125/4885

“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.