SCHEMBL4126094

SCHEMBL4126094

O=C(O)NCCc1cc(S(=O)(=O)c2cccnc2)c(-c2cccnc2Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.35
ALDH1A1 P00352 1/20 0.34
TBXAS1 P24557 2/20 0.33
POLB P06746 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
SCHEMBL4126590 0.89 NAMPT (0.35) NAMPTALDH1A1TBXAS1POLB
SCHEMBL4129262 0.86 KMT2A (0.39) NAMPTALDH1A1TBXAS1
SCHEMBL4130748 0.86 POLB (0.36) NAMPTALDH1A1TBXAS1POLB
SCHEMBL3645989 0.81 ABCC9 (0.35) NAMPTALDH1A1TBXAS1
SCHEMBL4126083 0.81 GPBAR1 (0.36) NAMPTALDH1A1TBXAS1POLB
Fumaric Acid SCHEMBL3650347 0.81 TBXAS1 (0.36) NAMPTALDH1A1TBXAS1POLB
Fumaric Acid SCHEMBL3650341 0.81 TBXAS1 (0.36) NAMPTALDH1A1TBXAS1POLB
SCHEMBL4118026 0.80 NAMPT (0.38) NAMPTALDH1A1POLB
SCHEMBL3645990 0.79 PTGER2 (0.35) NAMPT
SCHEMBL4138207 0.78 NAMPT (0.38) NAMPTALDH1A1

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 1497/4885TBXAS1 670/4885

“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.