SCHEMBL4127364

SCHEMBL4127364

CN(Cc1cc(-c2cccnc2F)c(S(=O)(=O)c2ccccn2)s1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LOX P28300 1/20 0.36
KAT6A Q92794 1/20 0.34
C1S P09871 1/20 0.33
LIPG Q9Y5X9 3/20 0.33
LIPC P11150 1/20 0.33
IDH2 P48735 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DHODH Q02127 2/20 0.32
SLC40A1 Q9NP59 1/20 0.32
TACR1 P25103 1/20 0.32
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
METAP2 P50579 1/20 0.31
HSD17B2 P37059 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
SCHEMBL4125901 0.90 NAMPT (0.35) LIPGLIPCIDH2HDAC3HDAC4
SCHEMBL3649951 0.87 PDK2 (0.35) MAOAMAOBLOXKAT6AC1S
SCHEMBL4117657 0.86 GPBAR1 (0.33) LIPGLIPCIDH2
SCHEMBL3649953 0.86 MAOA (0.33) MAOAMAOBLOXKAT6AC1S
SCHEMBL4125599 0.84 LIPG (0.33) LIPGLIPCIDH2SLC40A1ABCC9
SCHEMBL3649326 0.84 HTR6 (0.39)
SCHEMBL3782033 0.84 NAMPT (0.37) SLC40A1
SCHEMBL4125938 0.83 FFAR4 (0.34) LIPGLIPC
SCHEMBL4136581 0.83 CTSD (0.33) LIPGLIPCIDH2HDAC3HDAC4
SCHEMBL3654891 0.83 ATM (0.34) KAT6AC1SLIPGLIPCIDH2

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 MAOA 2512/4885MAOB 2651/4885LOX 3356/4885

“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.