SCHEMBL4130748

SCHEMBL4130748

O=C(O)NCCc1cc(-c2cccnc2Cl)c(S(=O)(=O)c2cccnc2)s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NAMPT P43490 6/20 0.34
CKS1B P61024 2/20 0.34
SKP2 Q13309 2/20 0.34
TBXAS1 P24557 4/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL4138207 0.92 NAMPT (0.38) SLC40A1ALDH1A1NAMPTTDP1
SCHEMBL4130108 0.87 NFE2L2 (0.41) SLC40A1ALDH1A1NAMPT
SCHEMBL4132664 0.87 NAMPT (0.38) POLBALDH1A1NAMPTTBXAS1TDP1
SCHEMBL4126094 0.86 NAMPT (0.35) POLBALDH1A1NAMPTTBXAS1
SCHEMBL4130696 0.83 SLC22A12 (0.36) POLBGPBAR1ALDH1A1NAMPTTBXAS1
SCHEMBL4130745 0.81 GPBAR1 (0.40) SLC40A1GPBAR1ALDH1A1NAMPTCKS1B
Fumaric Acid SCHEMBL3649699 0.81 GPBAR1 (0.35) POLBSLC40A1GPBAR1NAMPTCKS1B
SCHEMBL4126636 0.81 GAA (0.39) ALDH1A1NAMPTTDP1
Fumaric Acid SCHEMBL3649706 0.81 GPBAR1 (0.35) POLBSLC40A1GPBAR1NAMPTCKS1B
SCHEMBL3648437 0.81 GPBAR1 (0.36) SLC40A1GPBAR1CKS1BSKP2ITGB3

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 POLB 4579/4885SLC40A1 2890/4885GPBAR1 52/4885

“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.