SCHEMBL5402272

SCHEMBL5402272

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)Cc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LPAR1 Q92633 2/20 0.47
HSD17B2 P37059 5/20 0.47
RAB9A P51151 1/20 0.47
LPAR5 Q9H1C0 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
LIMK2 P53671 1/20 0.46
TSHR P16473 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL5392897 0.93 KMT2A (0.50) MEN1KMT2AALDH1A1LPAR1HSD17B2
SCHEMBL5399052 0.90 LPAR1 (0.50) MEN1KMT2ALPAR1RAB9ALPAR5
SCHEMBL5409406 0.90 LTB4R (0.48) MEN1KMT2AALDH1A1RAB9ATSHR
SCHEMBL5394093 0.90 TP53 (0.51) MEN1KMT2ALPAR1RAB9ALPAR5
SCHEMBL5402445 0.90 TDP1 (0.52) MEN1KMT2AALDH1A1LPAR1HSD17B2
SCHEMBL5401485 0.89 LPAR1 (0.53) MEN1KMT2ALPAR1RAB9ALPAR5
SCHEMBL5407116 0.89 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LPAR1HSD17B2
SCHEMBL5411801 0.88 LPAR1 (0.54) LPAR1RAB9ALPAR5TSHR
SCHEMBL5412188 0.88 LPAR1 (0.45) MEN1KMT2ALPAR1RAB9ALPAR5
SCHEMBL6232981 0.88 KMT2A (0.60) MEN1KMT2AALDH1A1RAB9A

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 MEN1 891/4885KMT2A 2451/4885ALDH1A1 1256/4885

“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.