SCHEMBL4126083

SCHEMBL4126083

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.36
NAMPT P43490 1/20 0.36
PTGER2 P43116 7/20 0.35
RXFP1 Q9HBX9 1/20 0.33
TBXAS1 P24557 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 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
SCHEMBL4126584 0.90 NAMPT (0.37) GPBAR1NAMPTPTGER2LMNANPSR1
SCHEMBL3645987 0.89 GPBAR1 (0.36) GPBAR1NAMPTPTGER2RXFP1POLB
SCHEMBL3645990 0.88 PTGER2 (0.35) GPBAR1NAMPTPTGER2RXFP1LMNA
SCHEMBL4129256 0.86 NAMPT (0.39) GPBAR1NAMPTPTGER2POLBLMNA
SCHEMBL4130745 0.86 GPBAR1 (0.40) GPBAR1NAMPTPTGER2RXFP1LMNA
SCHEMBL4126094 0.81 NAMPT (0.35) NAMPTTBXAS1POLBALDH1A1
Fumaric Acid SCHEMBL3650347 0.81 TBXAS1 (0.36) NAMPTTBXAS1POLBLMNANPSR1
Fumaric Acid SCHEMBL3650341 0.81 TBXAS1 (0.36) NAMPTTBXAS1POLBLMNANPSR1
SCHEMBL4118018 0.80 NAMPT (0.41) NAMPTPTGER2TBXAS1LMNAKEAP1
SCHEMBL3645989 0.80 ABCC9 (0.35) GPBAR1NAMPTTBXAS1LMNANPSR1

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.