SCHEMBL4139211

SCHEMBL4139211

O=C(O)NCCc1nc(-c2cccnc2F)c(S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.36
NAMPT P43490 4/20 0.35
CYP2C9 P11712 2/20 0.35
DHODH Q02127 1/20 0.35
GRM4 Q14833 2/20 0.34
SLC40A1 Q9NP59 5/20 0.34
LIPC P11150 1/20 0.34
PIP4K2A P48426 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
PTGS2 P35354 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
SCHEMBL4131245 0.92 ALDH1A1 (0.34) LIPGNAMPTSLC40A1LIPC
SCHEMBL4127584 0.92 HTR6 (0.35) LIPGNAMPTDHODHGRM4LIPC
SCHEMBL4125431 0.90 DHODH (0.36) NAMPTDHODHGRM4SLC40A1
SCHEMBL4125989 0.88 GAA (0.36) NAMPTCYP2C9PIP4K2APIP4K2C
SCHEMBL4118456 0.88 LIPG (0.33) LIPGDHODHGRM4SLC40A1LIPC
SCHEMBL4137731 0.88 NFE2L2 (0.38) NAMPTSLC40A1
SCHEMBL4118513 0.88 MAPT (0.37) HTTPTGS2
SCHEMBL4130442 0.86 KMT2A (0.38) NAMPT
SCHEMBL4132297 0.83 KMT2A (0.39) NAMPTCYP2C9ATM
SCHEMBL4118036 0.81 DHODH (0.36) LIPGDHODHSLC40A1LIPC

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 2467/4885NAMPT 2129/4885CYP2C9 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.