SCHEMBL4129210

SCHEMBL4129210

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.37
NAMPT P43490 6/20 0.37
CNR1 P21554 6/20 0.34
CNR2 P34972 3/20 0.34
PTGS2 P35354 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
SLC12A2 P55011 1/20 0.32
SLC12A5 Q9H2X9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4119395 0.92 KCNQ3 (0.35) NAMPTCNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL4125960 0.91 NAMPT (0.38) P2RX7NAMPTCNR1PTGS2PTGDR2
SCHEMBL4125575 0.91 NAMPT (0.38) P2RX7NAMPTPTGS2PTGDR2
SCHEMBL4125915 0.89 CNR1 (0.38) P2RX7NAMPTCNR1CNR2PTGS2
SCHEMBL4135868 0.88 NAMPT (0.39) NAMPTCNR1PTGS2LMNAPKM
SCHEMBL4131436 0.88 NAMPT (0.38) P2RX7NAMPTCNR1CNR2PTGDR2
SCHEMBL4119630 0.87 RIPK1 (0.38) P2RX7NAMPTPTGS2ALDH1A1SMN1; SMN2
SCHEMBL4130781 0.86 ALDH1A1 (0.35) P2RX7NAMPTCNR1CNR2ALDH1A1
SCHEMBL3704869 0.85 P2RX7 (0.37) P2RX7NAMPTPTGS2
SCHEMBL3812573 0.85 KCNQ3 (0.36) NAMPTCNR1CNR2ALDH1A1SMN1; SMN2

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 P2RX7 1303/4885NAMPT 2129/4885CNR1 938/4885

“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.