SCHEMBL4127066

SCHEMBL4127066

O=C(O)NCCc1cc(S(=O)(=O)c2ccccc2)n(-c2cccc(F)c2F)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
PTGS2 P35354 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
AKR1C3 P42330 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KAT6A Q92794 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 1/20 0.33
MYC P01106 2/20 0.32
WDR5 P61964 2/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL4131003 0.91 NAMPT (0.37) ALDH1A1L3MBTL1ATM
SCHEMBL4135640 0.88 NAMPT (0.37) EPHX2PTGS2SMN1; SMN2ALDH1A1P2RX7
SCHEMBL4139322 0.87 GAA (0.36) EPHX2PTGS2SMN1; SMN2KMT2ANPC1
SCHEMBL4125917 0.86 HTR2A (0.36) EPHX2PTGS2KMT2AALDH1A1L3MBTL1
SCHEMBL4126131 0.85 HTT (0.37) EPHX2PTGS2SMN1; SMN2LMNAALDH1A1
SCHEMBL4131207 0.84 THRB (0.40) SMN1; SMN2KMT2ANPC1RAB9ALMNA
SCHEMBL4125815 0.83 ATM (0.36) EPHX2ALDH1A1L3MBTL1ATM
SCHEMBL4130432 0.82 NAMPT (0.39) EPHX2PTGS2SMN1; SMN2ALDH1A1
SCHEMBL4123666 0.81 ALDH1A1 (0.38) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL4135433 0.81 NAMPT (0.37) ALDH1A1ATM

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 EPHX2 711/4885PTGS2 269/4885SMN1; SMN2 4327/4885

“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.