Sugi Predict

Sugi Predict / Compounds / SCHEMBL2172547

SCHEMBL2172547

SCHEMBL2172547

O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 3/20 0.46
▸ AOC3 Q16853 1/20 0.44
▸ LMNA P02545 5/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KCNN4 O15554 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL703021 1.00 KCNA5 (0.46) KCNA5AOC3LMNAMAPK1CYP2D6
SCHEMBL1868206 1.00 KCNA5 (0.46) KCNA5AOC3LMNAMAPK1CYP2D6
SCHEMBL29220604 0.94 KCNA5 (0.42) KCNA5AOC3LMNAMAPK1CYP2D6
SCHEMBL4184371 0.90 KCNA5 (0.40) KCNA5AOC3LMNAMAPK1CYP2D6
SCHEMBL416186 0.86 CYP2D6 (0.41) KCNA5AOC3LMNAMAPK1CYP2D6
SCHEMBL12890848 0.84 KCNA5 (0.67) KCNA5CYP2C19CYP3A4CYP2C9
SCHEMBL1053427 0.83 KCNA5 (0.47) KCNA5LMNAMAPK1CYP2D6CYP2C19
SCHEMBL1053425 0.83 KCNA5 (0.47) KCNA5LMNAMAPK1CYP2D6CYP2C19
SCHEMBL9259886 0.82 ALDH1A1 (0.39) KCNA5AOC3LMNAMAPK1CYP2D6
SCHEMBL24017094 0.81 ACP3 (0.47) ALDH1A1MEN1KMT2ACYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799925-B2 Process for the preparation of the (S)-enantiomer of omeprazole Unión Químico Farmacéutica, S.A. (ES) 2010-09-21 — — US claimed
EP-1973896-B1 A PROCESS FOR THE PREPARATION OF THE (S)-ENANTIOMER OF OMEPRAZOLE UNION QUIMICO FARMA (ES) 2009-04-15 — — EP claimed
US-20080300411-A1 Process for the Preparation of the (S)-Enantiomer of Omeprazole UNION QUIMICO FARMACEUTICA, S.A. (ES) 2008-12-04 — — US claimed
EP-1973896-A1 A PROCESS FOR THE PREPARATION OF THE (S)-ENANTIOMER OF OMEPRAZOLE Union Quimico-Farmaceutica, S.A. (ES) 2008-10-01 — — EP claimed
WO-2007074099-A1 A PROCESS FOR THE PREPARATION OF THE (S)-ENANTIOMER OF OMEPRAZOLE Unión Químico Farmacéutica, S.A. (ES) 2007-07-05 — — WO claimed
US-4978744-A Synthesis of dolastatin 10 ARIZONA BOARD OF REGENTS (US) 1990-12-18 — — US claimed
CN-118108930-A Copolyester and preparation method thereof 中国石油化工股份有限公司 2024-05-31 — — CN disclosed
CN-118063750-A Heat-resistant amorphous copolyester and preparation method thereof 中国石油化工股份有限公司 2024-05-24 — — CN disclosed
CN-118063745-A Multielement amorphous copolyester and preparation method thereof 中国石油化工股份有限公司 2024-05-24 — — CN disclosed
WO-2022074068-A1 DISORAZOLES AND THEIR ANALOGUES AND METHODS FOR THEIR PRODUCTION OTTO-VON-GUERICKE-UNIVERSTIY MAGDEBURG (DE) 2022-04-14 — — WO disclosed
CN-108250042-B Preparation method of (S) - (-) -1,1, 2-triphenyl-1, 2-glycol 常州沃腾化工科技有限公司 2021-03-02 — — CN disclosed
US-20190276414-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF ENANTIA, S.L. (ES) 2019-09-12 — — US disclosed
EP-3464250-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF Enantia, S.L. (ES) 2019-04-10 — — EP disclosed
WO-2005087723-A1 AN IMPROVED PREPARATION OF ATORVASTATIN APOTEX PHARMACHEM INC. (CA) 2005-09-22 — — WO disclosed
US-20050203302-A1 Preparation of atorvastatin APOTEX PHARMACHEM INC. 2005-09-15 — — US disclosed
EP-1080082-B1 INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION NOVARTIS AG (CH) 2004-10-06 — — EP disclosed
US-6350878-B1 BASIFICATION AND IODINATION OF ALDEHYDE NOVARTIS AG (CH) 2002-02-26 — — US disclosed
EP-1080082-A1 INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION Novartis AG (CH) 2001-03-07 — — EP disclosed
WO-1999059985-A1 INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION NOVARTIS AG (CH) 1999-11-25 — — WO disclosed
US-4978744-A Synthesis of dolastatin 10 ARIZONA BOARD OF REGENTS (US) 1990-12-18 — — US 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 (3 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-20080300411-A1 Process for the Preparation of the (S)-Enantiomer of Omeprazole SEM1, CYP2S1, TPMT KCNA5 2753/4885AOC3 2089/4885LMNA 4803/4885
US-20050203302-A1 Preparation of atorvastatin HMGCR, CYP7A1, FAR1 KCNA5 1545/4885AOC3 1447/4885LMNA 962/4885
US-20190276414-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF HCRTR1, HCRTR2, GLP1R KCNA5 1051/4885AOC3 2313/4885LMNA 3265/4885

“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.