SCHEMBL4137822

SCHEMBL4137822

N#Cc1cccc(S(=O)(=O)c2cc(CCNC(=O)O)nn2-c2cc(F)ccc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
RORC P51449 2/20 0.37
GRM5 P41594 2/20 0.36
KAT6A Q92794 1/20 0.36
SCN9A Q15858 2/20 0.36
ACLY P53396 1/20 0.36
NAMPT P43490 5/20 0.35
CXCR2 P25025 1/20 0.35
VNN1 O95497 1/20 0.33

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
SCHEMBL4125917 0.88 HTR2A (0.36) HTR2AHTR2C
SCHEMBL4125768 0.87 ATM (0.35) KAT6ANAMPTCXCR2
SCHEMBL476366 0.85 NAMPT (0.38) RORCKAT6ANAMPT
SCHEMBL4139027 0.84 CNR1 (0.39) RORCNAMPT
Succinic Acid SCHEMBL4139312 0.84 KCNH2 (0.36) HTR2AHTR2CKCNH2RORCGRM5
SCHEMBL4126977 0.83 NAMPT (0.38) NAMPT
SCHEMBL3705663 0.83 DPP4 (0.37) HTR2AHTR2CKCNH2RORCGRM5
SCHEMBL4125960 0.80 NAMPT (0.38) NAMPT
SCHEMBL3812573 0.79 KCNQ3 (0.36) NAMPT
SCHEMBL4127066 0.77 EPHX2 (0.36) KAT6A

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 HTR2A 3643/4885HTR2C 2565/4885KCNH2 3538/4885

“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.