Sugi Predict

Sugi Predict / Compounds / SCHEMBL3902839

SCHEMBL3902839

SCHEMBL3902839

O=C1c2c(O)c(O)cc(=O)n2C(CO)CN1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ GRM2 Q14416 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ MMP1 P03956 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ SPHK2 Q9NRA0 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL3903176 0.85 GRM2 (0.42) HTTGRM2HTR2AALDH1A1POLB
SCHEMBL3906974 0.83 LMNA (0.39) HTTALDH1A1
SCHEMBL3905987 0.81 GRM2 (0.36) HTTGRM2ALDH1A1POLBAKR1B1
SCHEMBL3905985 0.81 HTT (0.32) HTTALDH1A1POLBAKR1B1RAB9A
SCHEMBL13868379 0.78 BRD4 (0.46) ALDH1A1
SCHEMBL3905975 0.75 KCNH2 (0.46) GRM2ALDH1A1POLBAKR1B1RAB9A
SCHEMBL3901550 0.72 AKR1B1 (0.39) HTTGRM2ALDH1A1POLBAKR1B1
SCHEMBL2892013 0.71 GAA (0.36) HTTGRM2ALDH1A1POLBMMP1
SCHEMBL1386512 0.69 PKM (0.39) HTTPOLBRAB9A
SCHEMBL3906226 0.69 ALDH1A1 (0.38) HTTGRM2HTR2AALDH1A1

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 8 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-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 — — US disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 — — US disclosed
EP-1549315-A4 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-05-23 — — EP disclosed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 — — US disclosed
EP-1549315-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2005-07-06 — — EP disclosed
WO-2004024078-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2004-03-25 — — WO 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 HTT 4666/4885GRM2 4391/4885HTR2A 1561/4885

“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.