Sugi Predict

Sugi Predict / Compounds / SCHEMBL3363885

SCHEMBL3363885

SCHEMBL3363885

CC(C)C(NC(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.69
▸ LMNA P02545 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CCR1 P32246 1/20 0.51
▸ ADAMTS4 O75173 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ MBTPS1 Q14703 1/20 0.46

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
SCHEMBL1951462 1.00 SLC1A3 (0.69) SLC1A3LMNAGAAHPGDSMN1; SMN2
SCHEMBL1953003 1.00 SLC1A3 (0.69) SLC1A3LMNAGAAHPGDSMN1; SMN2
SCHEMBL7529238 0.98 SLC1A3 (0.67) SLC1A3LMNAGAAHPGDSMN1; SMN2
SCHEMBL17019704 0.88 SLC1A3 (0.58) SLC1A3LMNAGAACCR1ALDH1A1
SCHEMBL9421783 0.87 SLC1A3 (0.56) SLC1A3LMNAGAASMN1; SMN2CCR1
SCHEMBL15586449 0.87 SLC1A3 (0.56) SLC1A3LMNAGAASMN1; SMN2CCR1
SCHEMBL7529242 0.85 SLC1A3 (0.55) SLC1A3LMNAGAASMN1; SMN2CCR1
SCHEMBL8605495 0.85 MAPK1 (0.54) SLC1A3HPGDADAMTS4ALDH1A1MMP9
SCHEMBL8681853 0.85 MAPK1 (0.54) SLC1A3HPGDADAMTS4ALDH1A1MMP9
SCHEMBL8606863 0.85 CCR1 (0.54) SLC1A3CCR1ADAMTS4MMP9NPSR1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417829-A Preparation method of ritonavir enantiomer 武汉海特生物创新医药研究有限公司 2022-12-02 — — CN claimed
CN-115417829-A Preparation method of ritonavir enantiomer 武汉海特生物创新医药研究有限公司 2022-12-02 — — CN disclosed
CN-115417829-A Preparation method of ritonavir enantiomer 武汉海特生物创新医药研究有限公司 2022-12-02 — — CN disclosed
CN-112438905-B Moisturizing and skin-brightening composition and application thereof 澳思美日用化工（广州）有限公司 2021-09-07 — — CN disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 — — US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 — — US disclosed
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 — — EP disclosed
CN-112438905-A Moisturizing and skin-brightening composition and application thereof 澳思美日用化工（广州）有限公司 2021-03-05 — — CN disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 — — US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 — — US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 — — EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 — — WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 — — US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 — — US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 — — WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 — — EP disclosed
US-20040102646-A1 Method of resolving optical isomers of amino acid derivative TOKUYAMA CORPORATION (JP) 2004-05-27 — — US disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 — — WO disclosed
EP-1338588-A1 METHOD OF RESOLVING OPTICAL ISOMERS OF AMINO ACID DERIVATIVE TOKUYAMA CORPORATION (JP) 2003-08-27 — — EP 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 (6 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-20040102646-A1 Method of resolving optical isomers of amino acid derivative ALAD, AAAS, BCAT1 SLC1A3 105/4885LMNA 229/4885GAA 2087/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 SLC1A3 4750/4885LMNA 1459/4885GAA 1174/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 SLC1A3 4750/4885LMNA 1459/4885GAA 1174/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP SLC1A3 3200/4885LMNA 2684/4885GAA 39/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS SLC1A3 4125/4885LMNA 3295/4885GAA 24/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 SLC1A3 3369/4885LMNA 2720/4885GAA 31/4885

“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.