Sugi Predict

Sugi Predict / Compounds / SCHEMBL501339

SCHEMBL501339

SCHEMBL501339

CC(C)(C)[Si](OCc1cc(F)nc(F)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ SMYD2 Q9NRG4 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KCNH3 Q9ULD8 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
SCHEMBL10204739 0.87 NUDT1 (0.39) LMNAL3MBTL1SMN1; SMN2HTT
SCHEMBL22774158 0.83 SMYD2 (0.32) TACR1SMN1; SMN2SMYD2CYP3A4HTT
SCHEMBL1314001 0.82 AGXT (0.42) LMNAL3MBTL1SMN1; SMN2SMYD2CYP3A4
SCHEMBL1853659 0.80 AKR1B1 (0.34) TACR1SMN1; SMN2CYP3A4HTT
SCHEMBL31124717 0.80 TRPA1 (0.35) TACR1SMN1; SMN2SMYD2CYP3A4HTT
SCHEMBL5561672 0.80 IDO1 (0.41) TACR1LMNASMN1; SMN2SMYD2CYP3A4
SCHEMBL31124766 0.80 TSHR (0.35) TACR1SMN1; SMN2SMYD2CYP3A4HTT
SCHEMBL23070394 0.80 ALOX5AP (0.31) TACR1CYP3A4
SCHEMBL5782201 0.79 ABCB1 (0.43) TACR1L3MBTL1SMN1; SMN2CYP3A4
SCHEMBL1630838 0.78 CYP11B1 (0.40) SMYD2CYP3A4

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-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-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
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
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 TACR1 4254/4885LMNA 3167/4885GAA 356/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H TACR1 4245/4885LMNA 3150/4885GAA 347/4885

“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.