SCHEMBL4126794

SCHEMBL4126794

CN(Cc1cc(Br)c(S(=O)(=O)c2ccccc2)s1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
HPGD P15428 1/20 0.38
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOA P21397 1/20 0.34
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 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
SCHEMBL4129164 0.88 HTR6 (0.38) CA12CA9CA1CA2HPGD
SCHEMBL4131734 0.86 TAS2R14 (0.42) L3MBTL1
Carbamic Acid SCHEMBL3651234 0.82 HTR2C (0.37) CA12CA9CA1CA2MEN1
SCHEMBL3654647 0.82 CNR2 (0.35) CA12CA9CA1CA2HPGD
Carbamic Acid SCHEMBL3651238 0.79 CA12 (0.33) CA12CA9CA1CA2HPGD
SCHEMBL4132659 0.78 NAMPT (0.39) CA12CA9CA1CA2LMNA
SCHEMBL3704722 0.77 HTR2C (0.31)
SCHEMBL4130659 0.76 ITGB1 (0.38) RAB9ASMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL4126163 0.75 PDK1 (0.36) SMN1; SMN2LMNAALDH1A1HDAC4NAMPT
SCHEMBL4130736 0.75 IDO1 (0.38) CA12CA9CA1CA2L3MBTL1

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 CA12 1740/4885CA9 662/4885CA1 975/4885

“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.