SCHEMBL23933987

SCHEMBL23933987

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nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 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
SCHEMBL11004028 0.79
SCHEMBL17178021 0.78 PTGS2 (0.38) PTGS2
SCHEMBL1666465 0.76 GRM2 (0.43) PTGS2
SCHEMBL19259245 0.73 PTGS2 (0.32) PTGS2
SCHEMBL19259180 0.73 PTGS2 (0.32) PTGS2
SCHEMBL14372530 0.72 ATP1A1 (0.34)
SCHEMBL17162607 0.72 PTGS2 (0.31) PTGS2
SCHEMBL17162603 0.72 PTGS2 (0.31) PTGS2
SCHEMBL17162606 0.72 PTGS2 (0.31) PTGS2
SCHEMBL24690843 0.71 PTGS1 (0.36)

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-20210323997-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS VIIV Healthcare UK (No.5) Limited (GB) 2021-10-21 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-20210323997-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 PTGS2 3518/4885

“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.