SCHEMBL4130264

SCHEMBL4130264

CN(Cc1cc(-c2cccc(C=O)c2F)c(S(=O)(=O)c2ccccc2)s1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
HSD17B2 P37059 3/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HSD17B1 P14061 2/20 0.32
KAT6A Q92794 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL3646767 0.88 GLS (0.34)
SCHEMBL4132668 0.87 KAT6A (0.33) LIMK2ALDH1A1GFERHSD17B2CA12
SCHEMBL3646770 0.86 LMNA (0.30) KMT2ALMNA
SCHEMBL4130269 0.80 KAT6A (0.33) CA12CA1CA2CA9KAT6A
SCHEMBL4120130 0.79 C1S (0.32) HTR2AHTR7HTR6
SCHEMBL3646768 0.78 MAS1 (0.34) KAT6A
SCHEMBL3647494 0.77 GLS (0.35) KAT6A
SCHEMBL3649326 0.76 HTR6 (0.39) LIMK2ALDH1A1HTR2AHTR7HTR6
SCHEMBL4130106 0.76 NFE2L2 (0.41) LIMK2HTR2AHTR7HTR6
SCHEMBL4125865 0.76 LIMK2 (0.33) LIMK2ALDH1A1GFERHSD17B2CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 LIMK2 4499/4885ALDH1A1 1497/4885GFER 2468/4885

“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.