SCHEMBL4126573

SCHEMBL4126573

CN(Cc1cc(S(=O)(=O)c2ccccn2)n(-c2ccccc2Cl)n1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 12/20 0.46
SLC16A1 P53985 11/20 0.46
RIPK1 Q13546 1/20 0.37
KDM4E B2RXH2 2/20 0.36
THRB P10828 2/20 0.36
PKM P14618 2/20 0.35
LMNA P02545 1/20 0.35
SLC12A2 P55011 1/20 0.35
SLC12A5 Q9H2X9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
APOBEC3A P31941 1/20 0.35
MCL1 Q07820 1/20 0.35
CNR1 P21554 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 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
SCHEMBL3700362 0.87 SLC16A3 (0.38) SLC16A3SLC16A1KDM4ECNR1
SCHEMBL3696893 0.87 SLC16A3 (0.46) SLC16A3SLC16A1KDM4ETHRB
SCHEMBL4118797 0.86 SLC16A3 (0.36) SLC16A3SLC16A1KDM4ELMNAALDH1A1
SCHEMBL4125769 0.86 SLC16A3 (0.39) SLC16A3SLC16A1CNR1
SCHEMBL3696895 0.86 SLC16A3 (0.44) SLC16A3SLC16A1RIPK1KDM4ETHRB
SCHEMBL3705041 0.85 SLC16A3 (0.39) SLC16A3SLC16A1RIPK1PKMLMNA
SCHEMBL3698987 0.84 SLC16A3 (0.40) SLC16A3SLC16A1
SCHEMBL4126098 0.83 NAMPT (0.39) SLC16A3SLC16A1KDM4ELMNACNR1
SCHEMBL3702449 0.83 ALDH1A1 (0.44) SLC16A3SLC16A1PKMALDH1A1CNR1
SCHEMBL4135860 0.83 SLC16A3 (0.37) SLC16A3SLC16A1ALDH1A1CNR1MEN1

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 SLC16A3 2809/4885SLC16A1 2925/4885RIPK1 4203/4885

“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.