SCHEMBL3698449

SCHEMBL3698449

Cc1ccc(S(=O)(=O)c2cc(CN(C)C(=O)O)nn2-c2ccc(F)cc2F)cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS2 P35354 2/20 0.35
OPRM1 P35372 1/20 0.34
CNR1 P21554 5/20 0.33
CNR2 P34972 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAMPT P43490 1/20 0.33
HTR2A P28223 4/20 0.32
KCNH2 Q12809 2/20 0.32
HTR2C P28335 3/20 0.32
SLC6A4 P31645 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL3709941 0.93 PTGS2 (0.33) PTGS2NAMPT
SCHEMBL4125954 0.93 PTGS2 (0.35) PTGS2NAMPTHTR2AKCNH2HTR2C
SCHEMBL4125570 0.91 NAMPT (0.34) PTGS2NAMPTHTR2AKCNH2HTR2C
SCHEMBL4130737 0.90 ALDH1A1 (0.38) CNR1CNR2L3MBTL1HTR2AKCNH2
SCHEMBL4130428 0.90 SLC16A3 (0.34) PTGS2NAMPTHTR2AKCNH2HTR2C
SCHEMBL3704890 0.89 P2RX7 (0.34) PTGS2NAMPTHTR2AKCNH2HTR2C
SCHEMBL3706785 0.88 HTR2C (0.40) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL3706787 0.88 CNR1 (0.32) CNR1CNR2
SCHEMBL4125819 0.87 PTGS2 (0.33) PTGS2NAMPTHTR2AKCNH2HTR2C
SCHEMBL4131057 0.87 PTGS2 (0.33) PTGS2NAMPT

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 NR2F2 2799/4885RAB9A 167/4885PTGS2 269/4885

“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.