SCHEMBL19851029

SCHEMBL19851029

CCOC(=O)CSc1nc2cnccc2n1-c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.65
CYP2C9 P11712 3/20 0.65
CYP3A4 P08684 2/20 0.65
SMN1; SMN2 Q16637 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC22A11 Q9NSA0 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
PSMD14 O00487 1/20 0.45
GAA P10253 1/20 0.45
PDE10A Q9Y233 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL19851093 0.90 SLC22A12 (0.61) SLC22A12CYP2C9CYP3A4SMN1; SMN2NPSR1
SCHEMBL19851132 0.87 SLC22A12 (0.71) SLC22A12CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL19851124 0.86 SLC22A12 (0.81) SLC22A12CYP2C9CYP3A4NPSR1CYP2C19
SCHEMBL19851027 0.85 SLC22A12 (0.67) SLC22A12CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL19851120 0.85 SLC22A12 (0.63) SLC22A12CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL19851131 0.83 SLC22A12 (0.64) SLC22A12CYP2C9CYP3A4SMN1; SMN2NPSR1
SCHEMBL19851022 0.83 TSHR (0.59) SLC22A12CYP2C9CYP3A4SMN1; SMN2NPSR1
SCHEMBL19851094 0.82 SLC22A12 (0.63) SLC22A12CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL19851128 0.81 SLC22A12 (0.67) SLC22A12CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL28666416 0.79 SLC22A12 (0.59) SLC22A12CYP2C9CYP3A4SMN1; SMN2NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SHANDONG UNIVERSITY (CN) 2019-09-03 US disclosed
US-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SHANDONG UNIVERSITY (CN) 2019-07-25 US disclosed
EP-3495362-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shandong University (CN) 2019-06-12 EP disclosed
WO-2018023851-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2018-02-08 WO 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 (2 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-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SLC29A1, SLC28A1, SLC5A1 SLC22A12 118/4885CYP2C9 292/4885CYP3A4 1101/4885
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SLC29A1, SLC28A1, SLC5A1 SLC22A12 163/4885CYP2C9 254/4885CYP3A4 990/4885

“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.