SCHEMBL4125903

SCHEMBL4125903

O=C(O)NCCc1cc(-c2cccnc2F)c(S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.38
LIPG Q9Y5X9 3/20 0.36
CYP2C9 P11712 2/20 0.36
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.36
SLC40A1 Q9NP59 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDH2 P48735 1/20 0.35
LIPC P11150 1/20 0.35
KAT6A Q92794 2/20 0.34
PIP4K2A P48426 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
GRM4 Q14833 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
SCHEMBL4117665 0.94 LIPG (0.34) NAMPTLIPGIDH2LIPCPIP4K2A
SCHEMBL4125700 0.92 ALDH1A1 (0.38) NAMPT
SCHEMBL4132234 0.91 ATM (0.38) NAMPTLIPGHTTATMTDP1
SCHEMBL4127371 0.90 MAOA (0.35) NAMPTLIPGHTTATMSLC40A1
SCHEMBL4125873 0.90 CYP1A2 (0.33) NAMPTLIPGIDH2LIPCPIP4K2A
SCHEMBL4136589 0.89 LIPG (0.33) LIPGIDH2LIPCPIP4K2APIP4K2C
SCHEMBL4120137 0.89 LIPG (0.32) NAMPTLIPGHTTATMLIPC
SCHEMBL4117748 0.89 LIPG (0.32) LIPGSLC40A1IDH2LIPCPIP4K2A
SCHEMBL4120655 0.88 NFE2L2 (0.39) NAMPTSLC40A1KAT6A
SCHEMBL4120230 0.88 NAMPT (0.38) NAMPTSLC40A1

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 2129/4885LIPG 2467/4885CYP2C9 689/4885

“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.