SCHEMBL4130273

SCHEMBL4130273

CNC(OC(=O)/C=C/C(=O)O)c1cc(-c2cccnc2F)c(S(=O)(=O)c2cccnc2)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
CYP17A1 P05093 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
NAMPT P43490 5/20 0.31
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30
ESR1 P03372 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4135456 0.91 NAMPT (0.33) NAMPTESR1
SCHEMBL3651231 0.91 NPC1 (0.33) FEN1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL3649702 0.90 GPBAR1 (0.33) SLC40A1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL4126014 0.89 NAMPT (0.34) NAMPTMEN1KMT2A
SCHEMBL3651793 0.88 NAMPT (0.33) FEN1ALDH1A1NAMPTABCC9ABCC8
SCHEMBL3646705 0.87 KDM4E (0.32) ALDH1A1ESR1MEN1KMT2ACYP3A4
SCHEMBL3651800 0.85 NAMPT (0.35) ALDH1A1HPGDALOX12NAMPTMEN1
SCHEMBL4132145 0.83 HCAR2 (0.32) ESR1
SCHEMBL4119121 0.83 NFE2L2 (0.33)
Fumaric Acid SCHEMBL4130268 0.80 CYP2A6 (0.34) FEN1SLC40A1NAMPTMEN1POLB

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 FEN1 4656/4885SLC40A1 2890/4885CYP17A1 490/4885

“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.