SCHEMBL5402838

SCHEMBL5402838

NS(=O)(=O)c1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cc(F)ccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.48
CA2 P00918 13/20 0.48
CA12 O43570 9/20 0.48
CA4 P22748 7/20 0.48
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
KCNA5 P22460 2/20 0.41
MAPT P10636 1/20 0.40
CA9 Q16790 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK5 O95279 1/20 0.40
KCNK17 Q96T54 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40

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
SCHEMBL5392422 0.92 CA1 (0.49) CA1CA2CA12CA4POLB
SCHEMBL5402080 0.91 KCNA5 (0.48) KMT2ALMNAKCNA5MAPTKCNK3
SCHEMBL5398456 0.90 CA2 (0.54) CA1CA2CA12CA4POLB
SCHEMBL5403070 0.88 CA2 (0.49) CA1CA2CA12CA4POLB
SCHEMBL5394244 0.88 KCNA5 (0.43) KMT2ALMNAKCNA5MAPTKCNK3
SCHEMBL5414032 0.88 CA2 (0.49) CA1CA2CA12CA4POLB
SCHEMBL5401634 0.86 MAPT (0.44) POLBKMT2ALMNAKCNA5MAPT
SCHEMBL5392428 0.86 CA1 (0.48) CA1CA2CA12CA4POLB
SCHEMBL5397644 0.86 MAPT (0.48) KMT2ALMNAKCNA5MAPTKCNK3
SCHEMBL5401053 0.86 CA2 (0.55) CA1CA2CA12CA4KMT2A

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 CA1 722/4885CA2 1987/4885CA12 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.