SCHEMBL4126590

SCHEMBL4126590

O=C(O)NCCc1cc(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.35
ALDH1A1 P00352 1/20 0.34
FEN1 P39748 1/20 0.34
TBXAS1 P24557 2/20 0.33
POLB P06746 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 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
SCHEMBL4129262 0.90 KMT2A (0.39) NAMPTALDH1A1TBXAS1
SCHEMBL4126094 0.89 NAMPT (0.35) NAMPTALDH1A1TBXAS1POLB
SCHEMBL4126584 0.82 NAMPT (0.37) NAMPTALDH1A1FEN1ABCC9ABCC8
SCHEMBL3652974 0.82 CYP2A6 (0.39) NAMPTALDH1A1FEN1ABCC9ABCC8
SCHEMBL3653192 0.81 ABCC9 (0.36) NAMPTALDH1A1FEN1ABCC9ABCC8
Fumaric Acid SCHEMBL3651792 0.81 TBXAS1 (0.36) NAMPTTBXAS1POLBABCC9ABCC8
Fumaric Acid SCHEMBL3651794 0.81 TBXAS1 (0.36) NAMPTTBXAS1POLBABCC9ABCC8
SCHEMBL4118026 0.80 NAMPT (0.38) NAMPTALDH1A1POLB
SCHEMBL3653193 0.79 PTGER2 (0.35) NAMPTFEN1ABCC9ABCC8KCNJ11
SCHEMBL4131245 0.78 ALDH1A1 (0.34) NAMPTALDH1A1POLBABCC9ABCC8

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 NAMPT 2129/4885ALDH1A1 1497/4885FEN1 4656/4885

“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.