SCHEMBL3709941

SCHEMBL3709941

Cc1ccc(-n2nc(CN(C)C(=O)O)cc2S(=O)(=O)c2ccc(C)nc2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.33
NAMPT P43490 7/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
F10 P00742 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
COMT P21964 1/20 0.30

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
SCHEMBL3698449 0.93 NR2F2 (0.35) PTGS2NAMPT
SCHEMBL4131057 0.93 PTGS2 (0.33) PTGS2NAMPTCOMT
SCHEMBL3699498 0.91 ALDH1A1 (0.37) HCRTR1HCRTR2MAPTTSHR
SCHEMBL4130428 0.90 SLC16A3 (0.34) PTGS2NAMPT
SCHEMBL4126102 0.88 NAMPT (0.37) PTGS2NAMPTHCRTR1HCRTR2MAPT
SCHEMBL3698341 0.88 HTR2C (0.38) PTGS2NAMPTMAPTTSHR
SCHEMBL4125819 0.87 PTGS2 (0.33) PTGS2NAMPTTSHR
SCHEMBL4125954 0.87 PTGS2 (0.35) PTGS2NAMPT
SCHEMBL3698342 0.87 NAMPT (0.31) PTGS2NAMPT
SCHEMBL4135632 0.86 PTGS2 (0.32) PTGS2NAMPTTSHR

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 PTGS2 269/4885NAMPT 2129/4885HCRTR1 334/4885

“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.