SCHEMBL4130745

SCHEMBL4130745

CN(Cc1cc(-c2cccnc2Cl)c(S(=O)(=O)c2cccnc2)s1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.40
NAMPT P43490 1/20 0.37
PTGER2 P43116 5/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SLC40A1 Q9NP59 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 3/20 0.32
CKS1B P61024 1/20 0.32
SKP2 Q13309 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4138201 0.92 GPBAR1 (0.37) GPBAR1NAMPTRXFP1SLC40A1ALDH1A1
SCHEMBL3782033 0.90 NAMPT (0.37) GPBAR1NAMPTPTGER2SLC40A1ALDH1A1
SCHEMBL3648432 0.88 GPBAR1 (0.39) GPBAR1NAMPTPTGER2RXFP1ALDH1A1
SCHEMBL4130106 0.87 NFE2L2 (0.41) GPBAR1NFE2L2RXFP1
SCHEMBL3648440 0.87 GPBAR1 (0.38) GPBAR1NAMPTPTGER2KEAP1NFE2L2
SCHEMBL4126083 0.86 GPBAR1 (0.36) GPBAR1NAMPTPTGER2KEAP1NFE2L2
SCHEMBL4132659 0.86 NAMPT (0.39) NAMPTPTGER2ALDH1A1CA12CA1
SCHEMBL4130689 0.83 GPBAR1 (0.39) GPBAR1NAMPTPTGER2ALDH1A1HPGD
SCHEMBL4126631 0.81 ALDH1A1 (0.41) NAMPTALDH1A1LMNAMAPT
SCHEMBL4125901 0.81 NAMPT (0.35) NAMPTSLC40A1ALDH1A1

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 GPBAR1 52/4885NAMPT 2129/4885PTGER2 1424/4885

“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.