SCHEMBL4123666

SCHEMBL4123666

O=C(O)NCCc1cc(S(=O)(=O)c2cccnc2)n(-c2cccc(Cl)c2F)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
RIPK1 Q13546 1/20 0.37
NAMPT P43490 5/20 0.35
MDM2 Q00987 2/20 0.35
HTT P42858 2/20 0.35
SLC6A9 P48067 1/20 0.34
KMT2A Q03164 2/20 0.33
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL4131003 0.91 NAMPT (0.37) ALDH1A1NAMPTSLC6A9CHRNB2CHRNB4
SCHEMBL4126103 0.91 ALDH1A1 (0.42) ALDH1A1NAMPTKMT2AMEN1NPC1
SCHEMBL4135433 0.90 NAMPT (0.37) ALDH1A1NAMPTHTTSLC6A9CHRNB2
SCHEMBL4119630 0.89 RIPK1 (0.38) ALDH1A1RIPK1NAMPTMDM2KMT2A
SCHEMBL4131436 0.88 NAMPT (0.38) ALDH1A1NAMPTSLC6A9
SCHEMBL4126509 0.88 RIPK1 (0.37) ALDH1A1RIPK1NAMPTMDM2KMT2A
SCHEMBL4125815 0.88 ATM (0.36) ALDH1A1NAMPTSLC6A9CHRNB2CHRNB4
SCHEMBL4131207 0.87 THRB (0.40) ALDH1A1NAMPTKMT2AMEN1NPC1
SCHEMBL4126977 0.84 NAMPT (0.38) ALDH1A1NAMPT
SCHEMBL4118135 0.83 NAMPT (0.42) ALDH1A1NAMPT

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 ALDH1A1 1497/4885RIPK1 4203/4885NAMPT 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.