Sugi Predict

Sugi Predict / Compounds / SCHEMBL6665862

SCHEMBL6665862

SCHEMBL6665862

C[C@H](OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC7A5 Q01650 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 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
SCHEMBL2310819 1.00 TP53 (0.38) TP53ALDH1A1GAAKMT2ACYP1A2
SCHEMBL4311782 1.00 TP53 (0.38) TP53ALDH1A1GAAKMT2ACYP1A2
SCHEMBL11989015 0.84 TP53 (0.31) TP53
SCHEMBL18651184 0.82 — —
SCHEMBL8663640 0.80 MAPK1 (0.31) ALDH1A1
SCHEMBL11428292 0.79 ALDH1A1 (0.35) TP53ALDH1A1GAAKMT2ACYP1A2
SCHEMBL11324299 0.79 ALDH1A1 (0.35) TP53ALDH1A1GAAKMT2ACYP1A2
SCHEMBL11989016 0.78 TSHR (0.33) TSHR
SCHEMBL11128872 0.78 — —
SCHEMBL17443149 0.77 ALDH1A1 (0.33) TP53ALDH1A1GAAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069176-B1 Aliphatic esters and their use as perfume ingredients FIRMENICH & CIE (CH) 2004-09-08 — — EP claimed
US-6509312-B1 To impart a very natural fruity note FIRMENICH SA (CH) 2003-01-21 — — US claimed
EP-1069176-A1 Aliphatic esters and their use as perfume ingredients FIRMENICH SA (CH) 2001-01-17 — — EP claimed
CN-105980387-B Serine/threonine kinase inhibitor 阵列生物制药公司 2019-04-19 — — CN disclosed
US-10159747-B2 Compounds and compositions for the treatment of ocular disorders Graybug Visioon, Inc. (US) 2018-12-25 — — US disclosed
US-10117950-B2 Compounds and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2018-11-06 — — US disclosed
US-10111964-B2 Compounds and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2018-10-30 — — US disclosed
US-10098965-B2 Compounds and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2018-10-16 — — US disclosed
CN-108366984-A Compounds and compositions for treating ocular disorders 灰色视觉公司 2018-08-03 — — CN disclosed
EP-3352749-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-08-01 — — EP disclosed
US-9956302-B2 Compounds and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2018-05-01 — — US disclosed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 — — EP disclosed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 — — US disclosed
CN-105980387-A Serine/threonine kinase inhibitors 阵列生物制药公司 2016-09-28 — — CN disclosed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 — — WO disclosed
US-20110003877-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-01-06 — — US disclosed
US-20110003877-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-01-06 — — US disclosed
EP-1069176-B1 Aliphatic esters and their use as perfume ingredients FIRMENICH & CIE (CH) 2004-09-08 — — EP disclosed
US-6509312-B1 To impart a very natural fruity note FIRMENICH SA (CH) 2003-01-21 — — US disclosed
EP-1069176-A1 Aliphatic esters and their use as perfume ingredients FIRMENICH SA (CH) 2001-01-17 — — 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-10159747-B2 Compounds and compositions for the treatment of ocular disorders PTGIR, PTGIS, CA2 TP53 3168/4885ALDH1A1 1010/4885GAA 529/4885
US-10117950-B2 Compounds and compositions for the treatment of ocular disorders PTGIR, PTGIS, CA2 TP53 3168/4885ALDH1A1 1010/4885GAA 529/4885
US-20110003877-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 TP53 100/4885ALDH1A1 4199/4885GAA 1291/4885
US-10098965-B2 Compounds and compositions for the treatment of ocular disorders PTGIR, PTGIS, CA2 TP53 3168/4885ALDH1A1 1010/4885GAA 529/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K TP53 710/4885ALDH1A1 3535/4885GAA 1004/4885
US-10111964-B2 Compounds and compositions for the treatment of ocular disorders PTGIR, PTGIS, CA2 TP53 3168/4885ALDH1A1 1010/4885GAA 529/4885

“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.