SCHEMBL4120137

SCHEMBL4120137

O=Cc1cccc(S(=O)(=O)c2sc(CCNC(=O)O)cc2-c2cccnc2F)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.32
NAMPT P43490 8/20 0.32
GRM4 Q14833 1/20 0.32
LIPC P11150 1/20 0.32
NAT1 P18440 1/20 0.31
PIP4K2A P48426 1/20 0.30
PIP4K2C Q8TBX8 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL4125700 0.89 ALDH1A1 (0.38) NAMPT
SCHEMBL4125903 0.89 NAMPT (0.38) LIPGNAMPTGRM4LIPCPIP4K2A
SCHEMBL4132234 0.88 ATM (0.38) LIPGNAMPTGRM4LIPCPIP4K2A
SCHEMBL4117665 0.87 LIPG (0.34) LIPGNAMPTLIPCPIP4K2APIP4K2C
SCHEMBL4125873 0.87 CYP1A2 (0.33) LIPGNAMPTGRM4LIPCPIP4K2A
SCHEMBL4117748 0.86 LIPG (0.32) LIPGGRM4LIPCPIP4K2APIP4K2C
SCHEMBL4120655 0.85 NFE2L2 (0.39) NAMPT
SCHEMBL4120230 0.85 NAMPT (0.38) NAMPT
SCHEMBL4120130 0.83 C1S (0.32) LIPGGRM4LIPCNAT1
SCHEMBL4136589 0.83 LIPG (0.33) LIPGLIPCPIP4K2APIP4K2C

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 2129/4885GRM4 1862/4885

“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.