Sugi Predict

Sugi Predict / Compounds / SCHEMBL2640679

SCHEMBL2640679

SCHEMBL2640679

CC(C)(C)OC(=O)N[C@@H](CCCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ IDO1 P14902 1/20 0.49
▸ MMP2 P08253 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ CTSK P43235 4/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ PPARA Q07869 5/20 0.47
▸ PPARG P37231 4/20 0.47
▸ ACE P12821 1/20 0.47
▸ MDM2 Q00987 1/20 0.46
▸ PPARD Q03181 2/20 0.46
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC7 Q8WUI4 3/20 0.45

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
SCHEMBL31649378 1.00 ALDH1A1 (0.51) ALDH1A1TSHRIDO1MMP2MMP3
SCHEMBL2640680 1.00 ALDH1A1 (0.51) ALDH1A1TSHRIDO1MMP2MMP3
SCHEMBL31649040 0.97 ALDH1A1 (0.52) ALDH1A1TSHRIDO1MMP2MMP3
SCHEMBL28538006 0.93 AKT1 (0.49) ALDH1A1TSHRIDO1MMP2MMP3
SCHEMBL31649054 0.93 AKT1 (0.49) ALDH1A1TSHRIDO1MMP2MMP3
SCHEMBL5033293 0.91 MMP2 (0.46) ALDH1A1TSHRIDO1MMP2MMP3
SCHEMBL6358058 0.86 RRM1 (0.47) ALDH1A1TSHRMMP2MMP3MMP9
SCHEMBL25322938 0.86 NPC1 (0.46) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL30550754 0.86 NPC1 (0.46) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL25322940 0.86 NPC1 (0.46) ALDH1A1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905386-B Aminoglycoside derivatives 莱姆派克斯制药公司 2020-03-27 — — CN disclosed
EP-2569324-B9 AMINOGLYCOSIDE DERIVATIVES REMPEX PHARMACEUTICALS INC (US) 2018-03-28 — — EP disclosed
EP-2569324-B9 AMINOGLYCOSIDE DERIVATIVES REMPEX PHARMACEUTICALS INC (US) 2018-03-28 — — EP disclosed
EP-2569324-B1 AMINOGLYCOSIDE DERIVATIVES REMPEX PHARMACEUTICALS INC (US) 2017-12-06 — — EP disclosed
EP-2569324-B1 AMINOGLYCOSIDE DERIVATIVES REMPEX PHARMACEUTICALS INC (US) 2017-12-06 — — EP disclosed
US-8906868-B2 Aminoglycoside derivatives REMPEX PHARMACEUTICALS, INC. (US) 2014-12-09 — — US disclosed
US-8906868-B2 Aminoglycoside derivatives REMPEX PHARMACEUTICALS, INC. (US) 2014-12-09 — — US disclosed
US-8906868-B2 Aminoglycoside derivatives REMPEX PHARMACEUTICALS, INC. (US) 2014-12-09 — — US disclosed
EP-2569324-A1 AMINOGLYCOSIDE DERIVATIVES Rempex Pharmaceuticals, Inc. (US) 2013-03-20 — — EP disclosed
US-20130059808-A1 AMINOGLYCOSIDE DERIVATIVES REMPEX PHARMACEUTICALS, INC. (US) 2013-03-07 — — US disclosed
US-20130059808-A1 AMINOGLYCOSIDE DERIVATIVES REMPEX PHARMACEUTICALS, INC. (US) 2013-03-07 — — US disclosed
WO-2011143497-A1 AMINOGLYCOSIDE DERIVATIVES REMPEX PHARMACEUTICALS, INC. (US) 2011-11-17 — — 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-20130059808-A1 AMINOGLYCOSIDE DERIVATIVES AMPD3, ALG8, MRPL21 ALDH1A1 1923/4885TSHR 4372/4885IDO1 2724/4885

“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.