SCHEMBL3908174

SCHEMBL3908174

CCOCC1C2C1n1c(c(O)c(O)cc1=O)C(=O)N2Cc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
THRB P10828 1/20 0.30
HCRTR1 O43613 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
SCHEMBL13868456 1.00 HCRTR2 (0.33) HCRTR2TSHRALDH1A1RECQLGAA
SCHEMBL3905546 0.92 MAPT (0.32) HCRTR2TSHRMAPTHCRTR1
SCHEMBL13868458 0.92 MAPT (0.32) HCRTR2TSHRMAPTHCRTR1
SCHEMBL13868449 0.90 MAPT (0.33) HCRTR2ALDH1A1GAAMAPTL3MBTL1
SCHEMBL3902845 0.90 MAPT (0.33) HCRTR2ALDH1A1GAAMAPTL3MBTL1
SCHEMBL13868453 0.87
SCHEMBL3906547 0.87
SCHEMBL3905847 0.87 SMN1; SMN2 (0.33) TSHRALDH1A1MAPTL3MBTL1
SCHEMBL13868386 0.78 MEN1 (0.37) ALDH1A1RECQLGAAMAPTKDM4E
SCHEMBL3903176 0.69 GRM2 (0.42) ALDH1A1

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 HCRTR2 4149/4885TSHR 4242/4885ALDH1A1 451/4885

“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.