SCHEMBL4132674

SCHEMBL4132674

O=C(O)NCCc1cc(-c2cccc(CO)c2F)c(S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.37
KAT6A Q92794 2/20 0.34
MTNR1A P48039 5/20 0.33
MTNR1B P49286 3/20 0.33
S1PR5 Q9H228 2/20 0.33
POLB P06746 1/20 0.33
NQO2 P16083 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TYMS P04818 1/20 0.32
C1S P09871 1/20 0.32
NAMPT P43490 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL4130269 0.88 KAT6A (0.33) AKR1C3KAT6AS1PR5TDP1TYMS
SCHEMBL3653744 0.83 ADRB2 (0.35) AKR1C3KAT6AS1PR5POLBTYMS
SCHEMBL4125903 0.82 NAMPT (0.38) KAT6ATDP1NAMPT
SCHEMBL4132668 0.81 KAT6A (0.33) KAT6ATYMSC1SKMT2A
SCHEMBL3647496 0.80 KAT6A (0.32) KAT6AS1PR5C1SKMT2A
SCHEMBL4125873 0.78 CYP1A2 (0.33) AKR1C3NAMPT
SCHEMBL4119401 0.78 KAT6A (0.44) AKR1C3KAT6AMTNR1BTDP1KMT2A
SCHEMBL4138207 0.78 NAMPT (0.38) TDP1NAMPTKMT2A
SCHEMBL3647498 0.77 C1S (0.33) KAT6AC1S
SCHEMBL4125700 0.77 ALDH1A1 (0.38) NAMPT

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 AKR1C3 1218/4885KAT6A 4058/4885MTNR1A 3724/4885

“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.