SCHEMBL4130696

SCHEMBL4130696

N#Cc1ccccc1-c1cc(CCNC(=O)O)sc1S(=O)(=O)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.36
ALDH1A1 P00352 2/20 0.35
NAMPT P43490 6/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TBXAS1 P24557 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.34
PTGS2 P35354 1/20 0.34
GPBAR1 Q8TDU6 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
SCHEMBL4132664 0.87 NAMPT (0.38) ALDH1A1NAMPTTDP1POLBMEN1
SCHEMBL4130748 0.83 POLB (0.36) ALDH1A1NAMPTTDP1POLBTBXAS1
SCHEMBL4127145 0.82 HTT (0.36) NAMPTTDP1CYP2C9
Hydrochloric Acid SCHEMBL4130844 0.82 CYP1A2 (0.39) SLC22A12ALDH1A1CYP1A2CYP3A4TDP1
SCHEMBL4130689 0.82 GPBAR1 (0.39) SLC22A12ALDH1A1NAMPTCYP1A2CYP3A4
SCHEMBL3654308 0.79 SLC22A12 (0.33) SLC22A12CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4125903 0.77 NAMPT (0.38) NAMPTTDP1CYP2C9
SCHEMBL4138207 0.77 NAMPT (0.38) ALDH1A1NAMPTCYP1A2CYP3A4TDP1
SCHEMBL3654310 0.76 GPBAR1 (0.34) SLC22A12NAMPTCYP1A2CYP3A4CYP2C9
SCHEMBL4125619 0.76 ALDH1A1 (0.35) ALDH1A1NAMPT

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 SLC22A12 1904/4885ALDH1A1 1497/4885NAMPT 2129/4885

“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.