SCHEMBL5405706

SCHEMBL5405706

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2cccnc2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NOTUM Q6P988 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LPAR1 Q92633 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNH2 Q12809 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TSHR P16473 1/20 0.35
PDE4D Q08499 1/20 0.34

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
SCHEMBL5392395 0.93 NOTUM (0.40) POLBNOTUMTRPV1MAPK1MEN1
SCHEMBL5394305 0.86 NOTUM (0.43) NOTUMTRPV1LMNAMEN1KMT2A
SCHEMBL4930149 0.86 SGMS2 (0.44) TRPV1MAPK1MEN1KMT2AKCNK3
Hydrochloric Acid SCHEMBL1192158 0.85 SGMS2 (0.44) POLBTRPV1MAPK1MEN1KMT2A
SCHEMBL5402302 0.85 NOTUM (0.43) POLBNOTUMTRPV1GPBAR1
SCHEMBL5409459 0.85 KDM4E (0.39) MEN1KMT2ACTSGCMA1TSHR
SCHEMBL5405713 0.85 HTT (0.49) POLBLMNAMAPK1KMT2AKCNK3
SCHEMBL5402993 0.84 MAPK1 (0.44) TRPV1MAPK1KMT2ALPAR1RXFP1
SCHEMBL5409148 0.83 TRPV1 (0.48) POLBTRPV1KMT2ATSHR
SCHEMBL5412105 0.83 TRPV1 (0.46) TRPV1KMT2ALPAR1KCNK3KCNH2

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 POLB 527/4885NOTUM 3440/4885TRPV1 1916/4885

“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.