Sugi Predict

Sugi Predict / Compounds / SCHEMBL393422

SCHEMBL393422

SCHEMBL393422

CN(CCCC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.49
▸ CCR6 P51684 1/20 0.47
▸ PAX8 Q06710 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ F13A1 P00488 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
SCHEMBL389007 0.95 HTT (0.51) HTTALDH1A1CCR6PAX8MAPK1
SCHEMBL392019 0.94 HTT (0.50) HTTALDH1A1CCR6PAX8MAPK1
SCHEMBL28002371 0.94 HTT (0.50) HTTALDH1A1CCR6PAX8MAPK1
SCHEMBL164180 0.91 ALDH1A1 (0.51) HTTALDH1A1CCR6PAX8MAPK1
SCHEMBL390750 0.88 ALDH1A1 (0.50) HTTALDH1A1CCR6PAX8MAPK1
SCHEMBL16306384 0.88 ALDH1A1 (0.46) HTTALDH1A1CCR6PAX8MAPK1
SCHEMBL15937185 0.88 BCHE (0.45) HTTALDH1A1CCR6PAX8HDAC1
SCHEMBL7367495 0.87 ALDH1A1 (0.58) ALDH1A1CCR6PAX8MAPK1SLC6A3
SCHEMBL20794169 0.86 ALDH1A1 (0.52) ALDH1A1CCR6PAX8MAPK1SLC6A3
SCHEMBL1897393 0.86 CCR6 (0.51) ALDH1A1CCR6PAX8MAPK1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS GENENTECHT, INC. (US) 2023-08-03 — — US disclosed
CN-115210227-A Heterobifunctional molecules as TEAD inhibitors 基因泰克公司 2022-10-18 — — CN disclosed
EP-3008062-B1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma AG (DE) 2017-04-05 — — EP disclosed
US-9586958-B2 Prodrug derivatives of substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-07 — — US disclosed
EP-2344461-B1 SALTS OF ISOBUTYRIC ACID (1R*,2R*,4R*)-2-(2-{[3-(4,7-DIMETHOXY-1 H-BENZOIMIDAZOL-2-YL)-PROPYL]-METHYL-AMINO}-ETHYL)-5-PHENYL-BICYCLO[2.2.2]OCT-5-EN-2-YL ESTER ACTELION PHARMACEUTICALS LTD (CH) 2016-12-14 — — EP disclosed
CN-102020574-B Derivant of propofol γ-aminobutyric acid ester and preparation method thereof Zhong Shanwanhan Pharmaceutical Technology Co., Ltd (CN) 2016-12-14 — — CN disclosed
US-20160207915-A1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 — — US disclosed
EP-3008062-A2 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 — — EP disclosed
WO-2014198647-A2 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 — — WO disclosed
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 — — EP disclosed
US-5811557-A Preparation of mibefradil via an acetonitrile anion ROCHE COLORADO CORPORATION (US) 1998-09-22 — — US disclosed
US-5811556-A Preparation of mibefradil via a naphthalenylacetic acid ROCHE COLORADO CORPORATION (US) 1998-09-22 — — US disclosed
US-5808088-A Preparation of mibefradil via an acetamide anion ROCHE COLORADO CORPORATION (US) 1998-09-15 — — US disclosed
US-5656660-A AMINE OR GUANIDINE GROUP-CONTAINING TRYPTASE INHIBITOR ARRIS PHARMACEUTICAL CORPORATION (US) 1997-08-12 — — US disclosed
EP-0763016-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-03-19 — — EP disclosed
WO-1995032945-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS ARRIS PHARMACEUTICAL CORPORATION (US) 1995-12-07 — — WO disclosed
US-4808605-A Tetrahydronaphthalene derivatives as calcium antagonists HOFFMANN-LA ROCHE INC. (US) 1989-02-28 — — US disclosed
EP-0138504-B1 STEROID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-20 — — EP disclosed
US-4659516-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-21 — — US disclosed
EP-0138504-A2 Steroid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-04-24 — — 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 (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-20160207915-A1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES TK1, PNKP, MPST HTT 3246/4885ALDH1A1 2459/4885CCR6 3038/4885
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS TEAD1, TEAD2, TEAD4 HTT 714/4885ALDH1A1 1089/4885CCR6 4284/4885

“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.