SCHEMBL4126447

SCHEMBL4126447

COc1ccc(S(=O)(=O)c2cc(CCNC(=O)O)nn2-c2ccccc2Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.41
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC16A3 O15427 4/20 0.36
SLC16A1 P53985 3/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 2/20 0.36
PABPC1 P11940 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 1/20 0.35
SLC12A2 P55011 1/20 0.35
SLC12A5 Q9H2X9 1/20 0.35
POLB P06746 1/20 0.35
AVPR2 P30518 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 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
SCHEMBL4135106 0.90 NAMPT (0.41) NAMPTKMT2AALDH1A1SLC16A3SLC16A1
SCHEMBL4135868 0.89 NAMPT (0.39) NAMPTKMT2ALMNAALDH1A1SLC16A3
SCHEMBL4126274 0.88 GAA (0.40) NAMPTKMT2ALMNAALDH1A1SLC16A3
SCHEMBL4135506 0.88 SLC16A3 (0.37) KMT2ALMNAALDH1A1SLC16A3SLC16A1
SCHEMBL4125307 0.84 NFE2L2 (0.38) KMT2AALDH1A1SLC16A3SLC16A1USP2
SCHEMBL4126439 0.83 KMT2A (0.40) NAMPTKMT2ALMNAALDH1A1SLC16A3
Fumaric Acid SCHEMBL4136237 0.83 NAMPT (0.38) NAMPTKMT2ALMNAALDH1A1SLC16A3
Fumaric Acid SCHEMBL4136246 0.83 NAMPT (0.38) NAMPTKMT2ALMNAALDH1A1SLC16A3
SCHEMBL4126103 0.83 ALDH1A1 (0.42) NAMPTKMT2AALDH1A1TSHRMEN1
SCHEMBL4135079 0.82 SLC16A3 (0.37) KMT2ALMNAALDH1A1SLC16A3SLC16A1

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 NAMPT 2129/4885KMT2A 4776/4885LMNA 4283/4885

“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.