SCHEMBL3705041

SCHEMBL3705041

Cc1cc(S(=O)(=O)c2cc(CN(C)C(=O)O)nn2-c2ccccc2Cl)ccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 11/20 0.39
SLC16A1 P53985 10/20 0.39
PDE4B Q07343 1/20 0.33
RIPK1 Q13546 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
FPR1 P21462 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
SLC12A2 P55011 1/20 0.32
SLC12A5 Q9H2X9 1/20 0.32

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
SCHEMBL4125769 0.89 SLC16A3 (0.39) SLC16A3SLC16A1PDE4BCNR1
SCHEMBL3696956 0.88 SLC16A3 (0.40) SLC16A3SLC16A1LMNAPKMSLC12A2
SCHEMBL4135860 0.87 SLC16A3 (0.37) SLC16A3SLC16A1PDE4BCNR1SLC6A2
SCHEMBL4126573 0.85 SLC16A3 (0.46) SLC16A3SLC16A1RIPK1CNR1LMNA
SCHEMBL3702449 0.84 ALDH1A1 (0.44) SLC16A3SLC16A1CNR1FPR1PKM
SCHEMBL4126098 0.84 NAMPT (0.39) SLC16A3SLC16A1CNR1LMNA
SCHEMBL3699218 0.84 SLC16A3 (0.36) SLC16A3SLC16A1CNR1
SCHEMBL4135079 0.83 SLC16A3 (0.37) SLC16A3SLC16A1PDE4BRIPK1CNR1
SCHEMBL4118797 0.83 SLC16A3 (0.36) SLC16A3SLC16A1PDE4BCNR1SLC6A4
SCHEMBL3700362 0.82 SLC16A3 (0.38) SLC16A3SLC16A1PDE4BCNR1FPR1

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 5 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
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO 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 2925/4885PDE4B 399/4885

“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.