SCHEMBL3704890

SCHEMBL3704890

Cc1ccc(S(=O)(=O)c2cc(CN(C)C(=O)O)nn2-c2cc(F)ccc2Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.34
PRCP P42785 2/20 0.32
PTGS2 P35354 2/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
NAMPT P43490 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
PTGDR Q13258 1/20 0.31
SCD O00767 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LIMK2 P53671 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
SCHEMBL3697696 0.92 ALDH1A1 (0.38) TRPM8HTR2AHTR2CKCNH2SCD
SCHEMBL4125954 0.91 PTGS2 (0.35) PTGS2PTGDR2NAMPTHTR2AHTR2C
SCHEMBL4125570 0.91 NAMPT (0.34) PTGS2PTGDR2NAMPTHTR2AHTR2C
SCHEMBL3698449 0.89 NR2F2 (0.35) P2RX7PTGS2NAMPTHTR2AHTR2C
SCHEMBL3697102 0.88 HTR2C (0.41) P2RX7PRCPNAMPTHTR2AHTR2C
SCHEMBL4135860 0.88 SLC16A3 (0.37) NAMPTTRPM8ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4131429 0.88 KEAP1 (0.36) PTGDR2NAMPTALDH1A1LMNA
SCHEMBL3697103 0.88 PRCP (0.33) P2RX7PRCPPTGDR2TRPM8HTR2A
SCHEMBL4119622 0.87 RIPK1 (0.36) P2RX7NAMPTTRPM8GPBAR1ALDH1A1
SCHEMBL4130773 0.86 ALDH1A1 (0.37) PTGDR2NAMPTHTR2AHTR2CKCNH2

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 1303/4885PRCP 825/4885PTGS2 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.