SCHEMBL4127061

SCHEMBL4127061

CN(Cc1cc(S(=O)(=O)c2ccccc2)n(-c2cccc(F)c2F)n1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 4/20 0.34
SLC16A1 P53985 4/20 0.34
KEAP1 Q14145 1/20 0.34
HTR6 P50406 1/20 0.34
LIMK2 P53671 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SCN3A Q9NY46 1/20 0.32
TNFSF11 O14788 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4130995 0.91 NAMPT (0.36)
SCHEMBL3697137 0.88 HTR2C (0.44) SLC16A3SLC16A1KEAP1HTR6
SCHEMBL4135632 0.88 PTGS2 (0.32) SLC16A3SLC16A1LIMK2ALDH1A1LMNA
SCHEMBL3693029 0.87 ALDH1A1 (0.39) SLC16A3SLC16A1LIMK2ALDH1A1LMNA
SCHEMBL4125913 0.86 KMT2A (0.36) HTR6LIMK2KMT2AMAPT
SCHEMBL4126123 0.86 NAMPT (0.35) SLC16A3SLC16A1HTR6ALDH1A1KMT2A
SCHEMBL3697140 0.85 SLC16A3 (0.34) SLC16A3SLC16A1HTR6LMNAKMT2A
SCHEMBL4131198 0.84 NAMPT (0.39) SLC16A3SLC16A1ALDH1A1LMNAKDM4E
SCHEMBL4125804 0.83 NAMPT (0.36) KEAP1MAPTSMN1; SMN2
SCHEMBL4130428 0.82 SLC16A3 (0.34) SLC16A3SLC16A1LIMK2SCN3ASMN1; 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 2925/4885KEAP1 1892/4885

“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.