SCHEMBL5403070

SCHEMBL5403070

NS(=O)(=O)c1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.49
CA1 P00915 12/20 0.49
CA12 O43570 11/20 0.49
CA4 P22748 9/20 0.49
POLB P06746 1/20 0.42
FFAR1 O14842 1/20 0.42
KMT2A Q03164 1/20 0.42
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL5414032 0.93 CA2 (0.49) CA2CA1CA12CA4POLB
SCHEMBL5398456 0.91 CA2 (0.54) CA2CA1CA12CA4POLB
SCHEMBL5401053 0.91 CA2 (0.55) CA2CA1CA12CA4KMT2A
SCHEMBL5402851 0.91 FFAR1 (0.47) POLBFFAR1KMT2A
SCHEMBL5403109 0.90 CA2 (0.49) CA2CA1CA12CA4KMT2A
SCHEMBL5401176 0.90 CA1 (0.49) CA2CA1CA12CA4KMT2A
SCHEMBL5402838 0.88 CA1 (0.48) CA2CA1CA12CA4POLB
SCHEMBL5392428 0.88 CA1 (0.48) CA2CA1CA12CA4POLB
SCHEMBL5408340 0.88 ALDH1A1 (0.47) POLBFFAR1KMT2A
SCHEMBL5394590 0.88 RAB9A (0.57) CA2CA1CA12CA4KMT2A

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 CA2 1987/4885CA1 722/4885CA12 1604/4885

“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.