SCHEMBL4126977

SCHEMBL4126977

O=C(O)NCCc1cc(S(=O)(=O)c2cccnc2)n(-c2cc(F)ccc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.38
THRB P10828 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EPHX2 P34913 1/20 0.35
TBXAS1 P24557 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL4118135 0.92 NAMPT (0.42) NAMPTALDH1A1EPHX2
SCHEMBL4131436 0.91 NAMPT (0.38) NAMPTPOLBALDH1A1EPHX2TBXAS1
SCHEMBL4131207 0.91 THRB (0.40) NAMPTTHRBALDH1A1ATM
SCHEMBL4125917 0.91 HTR2A (0.36) ALDH1A1EPHX2
SCHEMBL4125960 0.87 NAMPT (0.38) NAMPT
SCHEMBL4125815 0.87 ATM (0.36) NAMPTTHRBPOLBALDH1A1EPHX2
SCHEMBL4131003 0.87 NAMPT (0.37) NAMPTTHRBALDH1A1ATM
SCHEMBL4126106 0.86 NAMPT (0.40) NAMPTPOLBALDH1A1TBXAS1
SCHEMBL4135433 0.86 NAMPT (0.37) NAMPTTHRBPOLBALDH1A1ATM
SCHEMBL4125768 0.85 ATM (0.35) NAMPTEPHX2ATM

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 2129/4885THRB 3537/4885POLB 4579/4885

“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.