SCHEMBL3905546

SCHEMBL3905546

CCCOCC1C2C1n1c(c(O)c(O)cc1=O)C(=O)N2Cc1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
HCRTR2 O43614 2/20 0.30
HCRTR1 O43613 1/20 0.30
TSHR P16473 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
SCHEMBL13868458 1.00 MAPT (0.32) MAPTHCRTR2HCRTR1TSHR
SCHEMBL3908174 0.92 HCRTR2 (0.33) MAPTHCRTR2HCRTR1TSHR
SCHEMBL13868456 0.92 HCRTR2 (0.33) MAPTHCRTR2HCRTR1TSHR
SCHEMBL13868449 0.88 MAPT (0.33) MAPTHCRTR2HCRTR1
SCHEMBL3902845 0.88 MAPT (0.33) MAPTHCRTR2HCRTR1
SCHEMBL13868453 0.86
SCHEMBL3906547 0.86
SCHEMBL3905847 0.86 SMN1; SMN2 (0.33) MAPTTSHR
SCHEMBL13868386 0.76 MEN1 (0.37) MAPT
SCHEMBL3906226 0.68 ALDH1A1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 US claimed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 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-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors DHPS, DUT, CDKN1A MAPT 3817/4885HCRTR2 4149/4885HCRTR1 3224/4885

“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.