SCHEMBL4131436

SCHEMBL4131436

O=C(O)NCCc1cc(S(=O)(=O)c2cccnc2)n(-c2cc(F)ccc2Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.35
ATM Q13315 1/20 0.34
P2RX7 Q99572 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TBXAS1 P24557 1/20 0.34
SLC6A9 P48067 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
SCHEMBL4126977 0.91 NAMPT (0.38) NAMPTALDH1A1POLBEPHX2ATM
SCHEMBL4118135 0.90 NAMPT (0.42) NAMPTALDH1A1EPHX2PTGDR2
SCHEMBL4126103 0.89 ALDH1A1 (0.42) NAMPTALDH1A1P2RX7CNR1
SCHEMBL4129210 0.88 P2RX7 (0.37) NAMPTALDH1A1P2RX7PTGDR2CNR1
SCHEMBL4123666 0.88 ALDH1A1 (0.38) NAMPTALDH1A1SLC6A9
SCHEMBL4119395 0.87 KCNQ3 (0.35) NAMPTALDH1A1CNR1CNR2
SCHEMBL4135433 0.86 NAMPT (0.37) NAMPTALDH1A1POLBATMSLC6A9
SCHEMBL4131207 0.85 THRB (0.40) NAMPTALDH1A1ATM
SCHEMBL4131003 0.84 NAMPT (0.37) NAMPTALDH1A1ATMSLC6A9
SCHEMBL4125815 0.84 ATM (0.36) NAMPTALDH1A1POLBEPHX2ATM

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 1497/4885POLB 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.