SCHEMBL3699795

SCHEMBL3699795

Cc1ccc(S(=O)(=O)c2cc(CN(C)C(=O)O)nn2-c2cccc(F)c2Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAMPT P43490 5/20 0.32
LIMK2 P53671 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS2 P35354 2/20 0.31
TP53 P04637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPT P10636 1/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL4131139 0.92 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EGAATSHR
SCHEMBL4125819 0.92 PTGS2 (0.33) ALDH1A1LMNAKDM4EGAATSHR
SCHEMBL4135632 0.91 PTGS2 (0.32) ALDH1A1LMNAKDM4EGAATSHR
SCHEMBL4130428 0.91 SLC16A3 (0.34) GAANPSR1NAMPTLIMK2PTGS2
SCHEMBL4119622 0.90 RIPK1 (0.36) P2RX7ALDH1A1LMNAKDM4EGAA
SCHEMBL4135426 0.89 NAMPT (0.36) HTTNAMPTGPBAR1
SCHEMBL3700227 0.88 NAMPT (0.32) NAMPTLIMK2PTGS2
SCHEMBL4135860 0.88 SLC16A3 (0.37) ALDH1A1GAANAMPTMEN1KMT2A
SCHEMBL4131514 0.87 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EGAATSHR
SCHEMBL3704890 0.85 P2RX7 (0.34) P2RX7ALDH1A1LMNAKDM4ENAMPT

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 P2RX7 1303/4885ALDH1A1 1497/4885LMNA 4283/4885

“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.