SCHEMBL4130108

SCHEMBL4130108

O=C(O)NCCc1cc(-c2cccnc2Cl)c(S(=O)(=O)c2cccc(F)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.41
ALDH1A1 P00352 1/20 0.37
NAMPT P43490 2/20 0.35
HTR6 P50406 1/20 0.35
EGFR P00533 1/20 0.35
GRM4 Q14833 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
DHODH Q02127 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
SCHEMBL4125700 0.91 ALDH1A1 (0.38) NFE2L2ALDH1A1NAMPTHTR6
SCHEMBL4138207 0.91 NAMPT (0.38) ALDH1A1NAMPTEGFRGRM4SLC40A1
SCHEMBL4130748 0.87 POLB (0.36) ALDH1A1NAMPTSLC40A1
SCHEMBL4125619 0.87 ALDH1A1 (0.35) NFE2L2ALDH1A1NAMPTHTR6
SCHEMBL4125903 0.83 NAMPT (0.38) NAMPTGRM4SLC40A1
SCHEMBL4120137 0.82 LIPG (0.32) NAMPTGRM4
SCHEMBL16333440 0.82 NFE2L2 (0.44) NFE2L2ALDH1A1HTR6
SCHEMBL4132234 0.82 ATM (0.38) ALDH1A1NAMPTEGFRGRM4
SCHEMBL4130106 0.82 NFE2L2 (0.41) NFE2L2HTR6EGFRDHODH
SCHEMBL4117748 0.82 LIPG (0.32) GRM4SLC40A1DHODH

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 NFE2L2 2670/4885ALDH1A1 1497/4885NAMPT 2129/4885

“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.