SCHEMBL4130741

SCHEMBL4130741

O=C(O)NCCc1cc(S(=O)(=O)c2ccc(Cl)nc2)n(-c2ccc(F)cc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.39
CNR2 P34972 10/20 0.38
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
P2RX7 Q99572 1/20 0.36
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL3812573 0.93 KCNQ3 (0.36) CNR1CNR2KCNQ3KCNQ2ALDH1A1
SCHEMBL4130087 0.92 ALDH1A1 (0.35) CNR1CNR2KCNQ3KCNQ2ALDH1A1
SCHEMBL4119395 0.91 KCNQ3 (0.35) CNR1CNR2KCNQ3KCNQ2ALDH1A1
SCHEMBL4130781 0.90 ALDH1A1 (0.35) CNR1CNR2KCNQ3KCNQ2ALDH1A1
SCHEMBL4130559 0.90 GAA (0.39) KCNQ3KCNQ2ALDH1A1P2RX7GAA
SCHEMBL4125915 0.90 CNR1 (0.38) CNR1CNR2P2RX7NAMPT
SCHEMBL4131275 0.87 ALDH1A1 (0.35) KCNQ3KCNQ2ALDH1A1GAACYP2C9
SCHEMBL4131144 0.87 NAMPT (0.37) KCNQ3KCNQ2ALDH1A1P2RX7GAA
SCHEMBL4131518 0.87 SCN9A (0.37) CNR1KCNQ3KCNQ2P2RX7GAA
SCHEMBL4139322 0.87 GAA (0.36) KCNQ3KCNQ2GAACYP2C9NAMPT

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 CNR1 938/4885CNR2 820/4885KCNQ3 4287/4885

“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.