SCHEMBL4130428

SCHEMBL4130428

Cc1ccc(S(=O)(=O)c2cc(CN(C)C(=O)O)nn2-c2ccccc2F)cn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 4/20 0.34
SLC16A1 P53985 4/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 2/20 0.33
SCN3A Q9NY46 1/20 0.33
NAMPT P43490 3/20 0.33
LIMK2 P53671 2/20 0.33
CYP3A4 P08684 1/20 0.33
CTSA P10619 1/20 0.33
SPR P35270 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
GAA P10253 1/20 0.32
DHODH Q02127 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RIPK1 Q13546 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
SCHEMBL4125819 0.94 PTGS2 (0.33) ATMSMN1; SMN2PTGS2NAMPTLIMK2
SCHEMBL4135632 0.93 PTGS2 (0.32) SLC16A3SLC16A1ATMSMN1; SMN2PTGS2
SCHEMBL3699795 0.91 P2RX7 (0.34) PTGS2NAMPTLIMK2GAANPSR1
SCHEMBL3704727 0.90 ALDH1A1 (0.43) SLC16A3SLC16A1ATMSMN1; SMN2SCN3A
SCHEMBL4125954 0.90 PTGS2 (0.35) PTGS2NAMPTLIMK2HTR2AHTR2C
SCHEMBL3698449 0.90 NR2F2 (0.35) PTGS2NAMPTHTR2AHTR2CKCNH2
SCHEMBL3709941 0.90 PTGS2 (0.33) PTGS2NAMPT
SCHEMBL4131057 0.90 PTGS2 (0.33) PTGS2NAMPT
SCHEMBL3700227 0.89 NAMPT (0.32) PTGS2NAMPTLIMK2
SCHEMBL4135860 0.89 SLC16A3 (0.37) SLC16A3SLC16A1SMN1; SMN2NAMPTGAA

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 2925/4885ATM 4850/4885

“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.