SCHEMBL12624045

SCHEMBL12624045

Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3cc4c(=O)n(C(=O)OC(C)(C)C)c(=O)n(C(=O)OC(C)(C)C)c4cc3F)c2cc1F

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.31
▸ DTYMK P23919 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL12624016 0.89 NR1H2 (0.30) PPARG
SCHEMBL12623982 0.87 PPARG (0.32) PPARG
SCHEMBL12624071 0.87 — —
SCHEMBL12624081 0.86 PARP1 (0.31) —
SCHEMBL12623895 0.82 HTT (0.36) TP53MAPTRXFP1
SCHEMBL12624041 0.80 PPARG (0.31) PPARG
SCHEMBL10257060 0.79 PPARG (0.35) PPARGTP53MAPT
SCHEMBL12623780 0.79 ACVR1 (0.35) —
SCHEMBL12624639 0.79 MAPT (0.40) TP53MAPT
SCHEMBL12623684 0.78 PPARG (0.32) PPARG

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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 PPARG 3860/4885DTYMK 819/4885TP53 269/4885

“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.

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