SCHEMBL4125769

SCHEMBL4125769

CN(Cc1cc(S(=O)(=O)c2ccncc2)n(-c2ccccc2Cl)n1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 11/20 0.39
SLC16A1 P53985 10/20 0.39
HTT P42858 1/20 0.36
CNR1 P21554 1/20 0.35
PDE4B Q07343 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOX4 Q9NPH5 1/20 0.33

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
SCHEMBL4126098 0.89 NAMPT (0.39) SLC16A3SLC16A1HTTCNR1HSD11B1
SCHEMBL3705041 0.89 SLC16A3 (0.39) SLC16A3SLC16A1CNR1PDE4B
SCHEMBL3701580 0.87 HTR2C (0.44) SLC16A3SLC16A1
SCHEMBL4126819 0.87 CNR1 (0.38) SLC16A3SLC16A1CNR1HSD11B1CYP2C9
SCHEMBL3696956 0.86 SLC16A3 (0.40) SLC16A3SLC16A1SMN1; SMN2
SCHEMBL4126573 0.86 SLC16A3 (0.46) SLC16A3SLC16A1CNR1
SCHEMBL3701584 0.86 SLC16A3 (0.39) SLC16A3SLC16A1PDE4B
SCHEMBL3699218 0.85 SLC16A3 (0.36) SLC16A3SLC16A1CNR1
SCHEMBL3702449 0.85 ALDH1A1 (0.44) SLC16A3SLC16A1CNR1SMN1; SMN2CYP2C9
SCHEMBL4135860 0.85 SLC16A3 (0.37) SLC16A3SLC16A1CNR1PDE4BSMN1; SMN2

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 2925/4885HTT 3967/4885

“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.