SCHEMBL20932947

SCHEMBL20932947

COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3cccc(OC)c3)C2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 7/20 0.76
▸ PTPN1 P18031 12/20 0.69
▸ ACP1 P24666 12/20 0.69
▸ PTPN2 P17706 6/20 0.69

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
SCHEMBL17302235 0.93 CA9 (0.86) CA9PTPN1ACP1PTPN2
SCHEMBL17295391 0.82 CA9 (0.84) CA9PTPN1ACP1PTPN2
SCHEMBL17295393 0.82 CA9 (0.84) CA9PTPN1ACP1PTPN2
SCHEMBL17302232 0.82 CA9 (0.69) CA9PTPN1ACP1PTPN2
SCHEMBL17302233 0.81 CA9 (0.68) CA9PTPN1ACP1PTPN2
SCHEMBL17295317 0.78 PTPN1 (0.72) CA9PTPN1ACP1PTPN2
SCHEMBL17295318 0.78 PTPN1 (0.72) CA9PTPN1ACP1PTPN2
SCHEMBL17309309 0.77 CA9 (0.76) CA9PTPN1ACP1PTPN2
SCHEMBL30173481 0.77 PPARG (0.73) —
SCHEMBL19481512 0.77 CA9 (0.76) CA9PTPN1ACP1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2019-04-25 — — 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 (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-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION GRIN2B, IL1B, GRIA4 CA9 4745/4885PTPN1 2202/4885ACP1 4609/4885

“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.

Send feedback