SCHEMBL4126798

SCHEMBL4126798

O=C(O)NCCc1cc(Br)c(S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.38
CA1 P00915 7/20 0.38
CA12 O43570 6/20 0.38
CA9 Q16790 6/20 0.38
CA5A P35218 3/20 0.38
CA7 P43166 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA14 Q9ULX7 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
POLB P06746 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KLK7 P49862 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 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
SCHEMBL4129168 0.88 NAMPT (0.36) POLBMAPTMEN1KMT2ANPC1
SCHEMBL4131739 0.85 MEP1B (0.42) CA2CA1CA9CA7CA14
SCHEMBL4132664 0.79 NAMPT (0.38) TDP1POLBMAPTALDH1A1MEN1
SCHEMBL4134961 0.76 GAA (0.38) CA2CA1CA12CA9CA5A
SCHEMBL4125903 0.76 NAMPT (0.38) TDP1HTT
SCHEMBL4132674 0.76 AKR1C3 (0.37) TDP1POLBKMT2A
SCHEMBL4138207 0.76 NAMPT (0.38) TDP1ALDH1A1MEN1KMT2ANPC1
SCHEMBL4126794 0.74 CA12 (0.39) CA2CA1CA12CA9CA5A
SCHEMBL3654646 0.74 ABCC9 (0.34) CA2CA1CA12CA9CA5A
SCHEMBL4130269 0.74 KAT6A (0.33) CA2CA1CA12CA9TDP1

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 CA2 335/4885CA1 975/4885CA12 1740/4885

“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.