SCHEMBL3707637

SCHEMBL3707637

CN(Cc1cc(S(=O)(=O)c2cccc(C#N)c2)n(-c2ccccc2Cl)n1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.37
SLC16A1 P53985 9/20 0.37
MCTS1 Q9ULC4 1/20 0.37
CNR1 P21554 3/20 0.37
ALDH1A1 P00352 1/20 0.35
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 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
SCHEMBL3699218 0.86 SLC16A3 (0.36) SLC16A3SLC16A1CNR1RXRANR1H2
SCHEMBL476365 0.86 APLNR (0.35) KCNA5
SCHEMBL3705663 0.84 DPP4 (0.37) NR1H3KCNA5KCNH2
SCHEMBL4125769 0.83 SLC16A3 (0.39) SLC16A3SLC16A1CNR1
SCHEMBL4126098 0.83 NAMPT (0.39) SLC16A3SLC16A1CNR1
Hydrochloric Acid SCHEMBL3693726 0.82 RXRA (0.37) CNR1RXRANR1H2NR1H3
SCHEMBL4139027 0.82 CNR1 (0.39) SLC16A3SLC16A1MCTS1CNR1
SCHEMBL3705041 0.82 SLC16A3 (0.39) SLC16A3SLC16A1CNR1
SCHEMBL3702449 0.81 ALDH1A1 (0.44) SLC16A3SLC16A1CNR1ALDH1A1
SCHEMBL4126819 0.80 CNR1 (0.38) SLC16A3SLC16A1CNR1

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 2925/4885MCTS1 4481/4885

“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.