SCHEMBL4131003

SCHEMBL4131003

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.37
ATM Q13315 1/20 0.36
THRB P10828 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A9 P48067 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 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
SCHEMBL4125815 0.93 ATM (0.36) NAMPTATMTHRBALDH1A1CHRNB2
SCHEMBL4131207 0.93 THRB (0.40) NAMPTATMTHRBALDH1A1CHRNB2
SCHEMBL4135433 0.91 NAMPT (0.37) NAMPTATMTHRBALDH1A1CHRNB2
SCHEMBL4123666 0.91 ALDH1A1 (0.38) NAMPTALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL4127066 0.91 EPHX2 (0.36) ATMALDH1A1L3MBTL1
SCHEMBL4135640 0.88 NAMPT (0.37) NAMPTALDH1A1
SCHEMBL4126977 0.87 NAMPT (0.38) NAMPTATMTHRBALDH1A1
SCHEMBL4126106 0.86 NAMPT (0.40) NAMPTALDH1A1
SCHEMBL4139322 0.86 GAA (0.36) NAMPTHSD17B1HSD17B2
SCHEMBL4126103 0.85 ALDH1A1 (0.42) NAMPTALDH1A1

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 NAMPT 2129/4885ATM 4850/4885THRB 3537/4885

“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.