SCHEMBL4117665

SCHEMBL4117665

O=C(O)NCCc1cc(-c2cccnc2F)c(S(=O)(=O)c2ccncc2)s1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 4/20 0.34
LIPC P11150 1/20 0.34
NAMPT P43490 10/20 0.33
PIP4K2A P48426 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33
IDH2 P48735 1/20 0.32
F2 P00734 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL4125903 0.94 NAMPT (0.38) LIPGLIPCNAMPTPIP4K2APIP4K2C
SCHEMBL4117748 0.89 LIPG (0.32) LIPGLIPCPIP4K2APIP4K2CIDH2
SCHEMBL4125700 0.89 ALDH1A1 (0.38) NAMPT
SCHEMBL4136589 0.88 LIPG (0.33) LIPGLIPCPIP4K2APIP4K2CIDH2
SCHEMBL4120137 0.87 LIPG (0.32) LIPGLIPCNAMPTPIP4K2APIP4K2C
SCHEMBL4132234 0.87 ATM (0.38) LIPGLIPCNAMPTPIP4K2APIP4K2C
SCHEMBL4127371 0.86 MAOA (0.35) LIPGLIPCNAMPTIDH2
SCHEMBL4125873 0.86 CYP1A2 (0.33) LIPGLIPCNAMPTPIP4K2APIP4K2C
SCHEMBL4126636 0.86 GAA (0.39) NAMPTPIP4K2APIP4K2C
SCHEMBL4125605 0.85 LIPG (0.33) LIPGLIPCNAMPTPIP4K2APIP4K2C

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 LIPG 2467/4885LIPC 83/4885NAMPT 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.