SCHEMBL5399239

SCHEMBL5399239

CN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 18/20 0.55
CA1 P00915 18/20 0.55
CA2 P00918 18/20 0.55
CA4 P22748 11/20 0.55
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
LIMK2 P53671 1/20 0.48
CA9 Q16790 1/20 0.47

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
SCHEMBL5403536 0.90 CA12 (0.54) CA12CA1CA2CA4LIMK2
SCHEMBL5395463 0.90 CA12 (0.61) CA12CA1CA2CA4CA9
SCHEMBL6232981 0.90 KMT2A (0.60) MEN1ALDH1A1KMT2A
SCHEMBL5392950 0.88 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL5409452 0.88 CA12 (0.59) CA12CA1CA2CA4LIMK2
SCHEMBL5404140 0.87 CA12 (0.46) CA12CA1CA2CA4CA9
SCHEMBL5398801 0.87 KMT2A (0.54) MEN1ALDH1A1KMT2ALIMK2
SCHEMBL5397276 0.84 CA1 (0.56) CA12CA1CA2CA4MEN1
SCHEMBL5401053 0.84 CA2 (0.55) CA12CA1CA2CA4KMT2A
SCHEMBL5399437 0.84 KMT2A (0.59) MEN1ALDH1A1KMT2A

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

“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.