SCHEMBL4120130

SCHEMBL4120130

CN(Cc1cc(-c2cccnc2F)c(S(=O)(=O)c2cccc(C=O)c2)s1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.32
NAT1 P18440 1/20 0.32
LIPG Q9Y5X9 2/20 0.30
GRM4 Q14833 1/20 0.30
LIPC P11150 1/20 0.30
IDH2 P48735 1/20 0.30
HTR6 P50406 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 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
SCHEMBL3649326 0.89 HTR6 (0.39) HTR6HTR2AHTR2CHTR7
SCHEMBL4125901 0.89 NAMPT (0.35) LIPGLIPCIDH2
SCHEMBL4028253 0.88 F2 (0.31)
SCHEMBL3654891 0.87 ATM (0.34) C1SLIPGGRM4LIPCIDH2
SCHEMBL4028261 0.87
SCHEMBL4117657 0.87 GPBAR1 (0.33) LIPGLIPCIDH2
SCHEMBL4125865 0.86 LIMK2 (0.33) LIPGIDH2
SCHEMBL4120645 0.86 NFE2L2 (0.41)
SCHEMBL4117741 0.85 LIPG (0.31) LIPGLIPCIDH2
SCHEMBL3782033 0.85 NAMPT (0.37)

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 C1S 1997/4885NAT1 2102/4885LIPG 2467/4885

“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.