SCHEMBL4132659

SCHEMBL4132659

CN(Cc1cc(-c2ccccc2Br)c(S(=O)(=O)c2cccnc2)s1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.39
PTGER2 P43116 4/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NR1D1 P20393 1/20 0.33
NR1H3 Q13133 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
KCNA5 P22460 1/20 0.33
TP53 P04637 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
SCHEMBL3799197 0.87 SOS1 (0.35) NAMPTPTGER2
SCHEMBL3782033 0.86 NAMPT (0.37) NAMPTPTGER2ALDH1A1LMNACA12
SCHEMBL3799201 0.86 PTGER2 (0.35) NAMPTPTGER2LMNAKMT2AKDM4E
SCHEMBL4130689 0.86 GPBAR1 (0.39) NAMPTPTGER2ALDH1A1LMNAKMT2A
SCHEMBL4130745 0.86 GPBAR1 (0.40) NAMPTPTGER2ALDH1A1LMNAMAPT
SCHEMBL4132664 0.82 NAMPT (0.38) NAMPTALDH1A1KMT2APTGS2KDM4E
SCHEMBL3654305 0.81 GPBAR1 (0.35) NAMPTPTGER2
SCHEMBL3654310 0.80 GPBAR1 (0.34) NAMPTPTGER2
SCHEMBL4125901 0.80 NAMPT (0.35) NAMPTALDH1A1
SCHEMBL4118018 0.80 NAMPT (0.41) NAMPTPTGER2LMNAKMT2ANR1D1

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 2129/4885PTGER2 1424/4885ALDH1A1 1497/4885

“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.