Sugi Predict

Sugi Predict / Compounds / SCHEMBL501608

SCHEMBL501608

SCHEMBL501608

Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(F)nc(F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ HPGD P15428 6/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ TPH1 P17752 1/20 0.33
▸ TPH2 Q8IWU9 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.31
▸ XBP1 P17861 1/20 0.31

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
SCHEMBL10204281 0.93 TLR7 (0.35) GRIN1GRIN2BTLR7HPGDKDM4E
SCHEMBL6087128 0.90 TPH1 (0.34) GRIN1GRIN2BTLR7HPGDKDM4E
SCHEMBL6088310 0.89 GRIN1 (0.36) GRIN1GRIN2BTLR7KMT2AALDH1A1
SCHEMBL10268479 0.85 TLR7 (0.32) TLR7
SCHEMBL6088314 0.85 MTNR1A (0.37) GRIN1GRIN2BHPGDKDM4EKMT2A
SCHEMBL6087770 0.85 TYMS (0.37) TLR7HPGDKMT2ATSHRMEN1
SCHEMBL6086491 0.85 PDE5A (0.33) TLR7HPGDKDM4EKMT2ATSHR
SCHEMBL10204455 0.85 KCNH2 (0.32) TLR7HPGDKDM4EALDH1A1
SCHEMBL6086817 0.84 HPGD (0.43) TLR7HPGDKDM4EKMT2ATSHR
SCHEMBL6086296 0.84 TSHR (0.34) GRIN1GRIN2BHPGDKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 — — US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 — — US disclosed
EP-2044037-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Gilead Sciences, Inc. (US) 2009-04-08 — — EP disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 — — US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 — — 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 (2 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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H GRIN1 2439/4885GRIN2B 2882/4885TLR7 3235/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H GRIN1 2377/4885GRIN2B 2787/4885TLR7 3234/4885

“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.