SCHEMBL21189182

SCHEMBL21189182

CCOC(=O)C(C)Sc1nc2cccnc2n1-c1ccc(C2CC2c2ccnc3c2nc(SC(C)(C)C(=O)OCC)n3-c2ccc(C3CC3)c3ccccc23)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 3/20 0.39
PLA2G1B P04054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
TSHR P16473 4/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 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
SCHEMBL19851024 0.86 SLC22A12 (0.60) SLC22A12CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL19851023 0.85 SLC22A12 (0.59) SLC22A12CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL23954462 0.78 SLC22A12 (0.43) SLC22A12CYP2C9CYP3A4ALDH1A1TSHR
SCHEMBL19047054 0.76 SLC22A12 (0.76) SLC22A12CYP2C9CYP2C19CYP3A4
SCHEMBL19851014 0.76 SLC22A12 (0.76) SLC22A12CYP2C9CYP2C19CYP3A4
SCHEMBL19851020 0.76 SLC22A12 (0.74) SLC22A12CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL19851101 0.74 ALDH1A1 (0.48) SLC22A12CYP2C9CYP3A4ALDH1A1TSHR
SCHEMBL21094241 0.74 SLC22A12 (0.51) SLC22A12CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL19851126 0.74 SLC22A12 (0.63) SLC22A12CYP2C9CYP2C19CYP3A4
SCHEMBL19851096 0.74 TSHR (0.56) CYP2C9CYP3A4ALDH1A1PLA2G1BNPSR1

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
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

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 292/4885CYP2C19 1044/4885
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SLC29A1, SLC28A1, SLC5A1 SLC22A12 163/4885CYP2C9 254/4885CYP2C19 907/4885

“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.