SCHEMBL2331470

SCHEMBL2331470

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.78
TP53 P04637 1/20 0.78
CYP2D6 P10635 1/20 0.54
RECQL P46063 1/20 0.51
LMNA P02545 2/20 0.48
F2 P00734 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKCA P17252 1/20 0.42
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL341403 1.00 TSHR (0.78) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL23266974 1.00 TSHR (0.78) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL2596611 1.00 TSHR (0.78) TSHRTP53CYP2D6RECQLLMNA
Water SCHEMBL10705613 0.98 TSHR (0.75) TSHRTP53CYP2D6RECQLLMNA
Cadaverine Tartrate SCHEMBL16541102 0.92 TSHR (0.85) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL4190179 0.92 TSHR (0.71) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL3709855 0.92 TSHR (0.71) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL670257 0.88 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL11886503 0.88 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL223030 0.88 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012131710-A2 NOVEL PROCESS FOR THE SYNTHESIS OF INDOLINE DERIVATIVES PANACEA BIOTEC LTD (IN) 2012-10-04 WO claimed
WO-2011158257-A1 PREPARATION PROCESS OF FESOTERODINE AND INTERMEDIATES PANACEA BIOTEC LTD (IN) 2011-12-22 WO claimed
EP-0141408-B1 PROCESS FOR THE PREPARATION OF L(-)CARNITINE HYDROCHLORIDE AND OF L(-)CARNITINE INNER SALT ISOM S.p.A. (IT) 1989-08-23 EP claimed
US-11401266-B2 Process for the preparation of an orexin receptor antagonist Merck Sharp & Dohme (UK) Ltd. (GB) 2022-08-02 US disclosed
US-20210309650-A1 Process for the Prepartion of an Orexin Receptor Antagonist MERCK SHARP & DOHME CORP. (US) 2021-10-07 US disclosed
US-20210163474-A1 METHOD FOR THE PREPARATION OF (4S)-4-(4-CYANO-2-METHOXYPHENYL)-5-ETHOXY-2,8-DIMETHYL-1,4-DIHYDRO-1-6-NAPHTHYRIDINE-3-CARBOX-AMIDE BY RACEMATE SEPARATION BY MEANS OF DIASTEREOMERIC TARTARIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 US disclosed
US-10774069-B2 Crystalline forms of a lysyl oxidase-like 2 inhibitor and methods of making PHARMAKEA, INC. (US) 2020-09-15 US disclosed
EP-3339300-B1 METHOD FOR PREPARING THIENYL ALANINE HAVING OPTICAL ACTIVITY AMINOLOGICS CO LTD (KR) 2020-08-12 EP disclosed
US-10562879-B2 Method for preparing thienyl alanine having optical activity AMINOLOGICS CO., LTD. (KR) 2020-02-18 US disclosed
US-20190202805-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING PHARMAKEA, INC. 2019-07-04 US disclosed
US-20180290996-A1 METHOD FOR PREPARING THIENYL ALANINE HAVING OPTICAL ACTIVITY AMINOLOGICS CO., LTD. (KR) 2018-10-11 US disclosed
CN-1543385-A Solder composition ��ʿͨ��ʽ���� 2004-11-03 CN disclosed
EP-1402990-A1 SOLDER COMPOSITION FUJI ELECTRIC CO., LTD. (JP) 2004-03-31 EP disclosed
EP-0763010-A4 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 1997-07-16 EP disclosed
US-5631264-A NEUROLOGICAL DISORDERS SANOFI WINTHROP, INC. (US) 1997-05-20 US disclosed
EP-0763010-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1997-03-19 EP disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
WO-1995032178-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1995-11-30 WO disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed
US-3932429-A Novel azabicyclo octane derivative and process for preparing same TANABE SEIYAKU CO., LTD (JA) 1976-01-13 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 (7 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-20210309650-A1 Process for the Prepartion of an Orexin Receptor Antagonist HCRTR2, HCRTR1, CRHR1 TSHR 176/4885TP53 4877/4885CYP2D6 1439/4885
US-10562879-B2 Method for preparing thienyl alanine having optical activity ALAD, AADAT, THOP1 TSHR 1038/4885TP53 4082/4885CYP2D6 1174/4885
US-11401266-B2 Process for the preparation of an orexin receptor antagonist HCRTR2, HCRTR1, CRHR1 TSHR 160/4885TP53 4880/4885CYP2D6 1062/4885
US-10774069-B2 Crystalline forms of a lysyl oxidase-like 2 inhibitor and methods of making LOXL2, LOXL1, LOX TSHR 4057/4885TP53 4717/4885CYP2D6 125/4885
US-20180290996-A1 METHOD FOR PREPARING THIENYL ALANINE HAVING OPTICAL ACTIVITY ALAD, AADAT, THOP1 TSHR 1038/4885TP53 4082/4885CYP2D6 1174/4885
US-20210163474-A1 METHOD FOR THE PREPARATION OF (4S)-4-(4-CYANO-2-METHOXYPHENYL)-5-ETHOXY-2,8-DIMETHYL-1,4-DIHYDRO-1-6-NAPHTHYRIDINE-3-CARBOX-AMIDE BY RACEMATE SEPARATION BY MEANS OF DIASTEREOMERIC TARTARIC ACID ESTERS SRD5A1, NR4A1, SRD5A2 TSHR 1011/4885TP53 3176/4885CYP2D6 13/4885
US-20190202805-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING LOXL2, LOXL1, LOX TSHR 4057/4885TP53 4717/4885CYP2D6 125/4885

“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.