SCHEMBL31029569

SCHEMBL31029569

COc1ncccc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.57
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
BTK Q06187 1/20 0.46
CA9 Q16790 3/20 0.45
MAPK1 P28482 1/20 0.45
NFE2L2 Q16236 4/20 0.45
SLC22A12 Q96S37 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
S100A4 P26447 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CA5A P35218 1/20 0.41
CA12 O43570 1/20 0.41
FTO Q9C0B1 1/20 0.39

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
SCHEMBL29705304 0.85 NFE2L2 (0.52) PTGES2CA1CA2BTKCA9
SCHEMBL789817 0.85 NFE2L2 (0.52) PTGES2CA1CA2BTKCA9
SCHEMBL7038996 0.83 PTGES2 (0.47) PTGES2CA1CA2CA9MAPK1
SCHEMBL31598828 0.83 PTGES2 (0.47) PTGES2CA1CA2CA9MAPK1
SCHEMBL15212419 0.81 PTGES2 (0.46) PTGES2CA1CA2CA9NFE2L2
SCHEMBL15211939 0.79 PTGES2 (0.45) PTGES2CA1CA2CA9NFE2L2
SCHEMBL30613857 0.79 PTGES2 (0.44) PTGES2CA1CA2CA9ALOX5AP
SCHEMBL21494394 0.79 PTGES2 (0.44) PTGES2CA1CA2CA9ALOX5AP
Formic Acid SCHEMBL14247346 0.78 NFE2L2 (0.50) PTGES2CA1CA2CA9MAPK1
Formic Acid SCHEMBL31344342 0.78 NFE2L2 (0.50) PTGES2CA1CA2CA9MAPK1

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-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2025-05-08 US disclosed
EP-4406948-A1 PYRIDINE DERIVATIVE AND USE THEREOF Sichuan Huiyu Pharmaceutical Co., Ltd. (CN) 2024-07-31 EP 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-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF KRAS, NRAS, BRAF PTGES2 3075/4885CA1 3768/4885CA2 3676/4885

“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.