SCHEMBL1415100

SCHEMBL1415100

Cc1ccc(S(=O)(=O)O)cc1.O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ CA1 P00915 5/20 0.46
▸ CA2 P00918 5/20 0.46
▸ LMNA P02545 1/20 0.43
▸ FKBP1A P62942 3/20 0.42
▸ MAPT P10636 2/20 0.41
▸ CTSC P53634 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL3930177 1.00 TSHR (0.47) TSHRCA1CA2LMNAFKBP1A
SCHEMBL5549483 0.88 ALDH1A1 (0.44) FKBP1AMAPTCTSCHPGDALDH1A1
SCHEMBL5461273 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL6871388 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL13314011 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL14605828 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL9169159 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL2178522 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL14117906 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1
SCHEMBL9733234 0.86 TSHR (0.56) TSHRFKBP1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113980096-A Process for synthesizing ton-grade perindopril tert-butylamine 绍兴市上虞区武汉理工大学高等研究院 2022-01-28 — — CN claimed
CN-113980096-A Process for synthesizing ton-grade perindopril tert-butylamine 绍兴市上虞区武汉理工大学高等研究院 2022-01-28 — — CN disclosed
CN-113980096-A Process for synthesizing ton-grade perindopril tert-butylamine 绍兴市上虞区武汉理工大学高等研究院 2022-01-28 — — CN disclosed
EP-2906536-B1 AN IMPROVED PROCESS FOR PREPARATION OF PERINDOPRIL INTERMEDIATE PIRAMAL ENTPR LTD (IN) 2018-03-14 — — EP disclosed
US-20150252001-A1 PROCESS FOR PREPARATION OF PERINDOPRIL INTERMEDIATE Piramal Enterprises Limited (IN) 2015-09-10 — — US disclosed
US-20150252001-A1 PROCESS FOR PREPARATION OF PERINDOPRIL INTERMEDIATE Piramal Enterprises Limited (IN) 2015-09-10 — — US disclosed
EP-2906536-A1 AN IMPROVED PROCESS FOR PREPARATION OF PERINDOPRIL INTERMEDIATE Piramal Enterprises Limited (IN) 2015-08-19 — — EP disclosed
WO-2014057404-A1 AN IMPROVED PROCESS FOR PREPARATION OF PERINDOPRIL INTERMEDIATE Piramal Enterprises Limited (IN) 2014-04-17 — — WO disclosed
EP-2044010-B1 NEW PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE-INIHIBITORS AND THE USE THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN MUEKOEDO RESZVENYTARSASAG (HU) 2014-01-08 — — EP disclosed
US-7960558-B2 Pharmaceutical intermediate for synthesizing ACE inhibitors and the use thereof EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2011-06-14 — — US disclosed
US-7456296-B2 Method for preparation of crystalline perindopril erbumine LUPIN LTD (IN) 2008-11-25 — — US disclosed
EP-1943267-A1 A PROCESS FOR THE PREPARATION OF PERINDOPRIL ERBUMINE LEK Pharmaceuticals D.D. (SI) 2008-07-16 — — EP disclosed
US-7288661-B2 Process for the synthesis of (2S,3aS,7aS)-1-[(S)-alanyl]-octahydro-1H-indole-2-carboxylic acid compounds and application in the synthesis of perindopril LES LABORATOIRES SERVIER (FR) 2007-10-30 — — US disclosed
US-7279583-B2 Process for the synthesis of perindopril and pharmaceutically acceptable salts thereof LES LABORATOIRES SERVIER (FR) 2007-10-09 — — US disclosed
US-20070149604-A1 Reacting perindopril in a solvent selected from N,N-dimethylformamide, dimethoxymethane, 2,2-dimethoxypropane and 1,2-dimethoxyethane with tert-butylamine, crystallization; stereospecific LUPIN LTD. (IN) 2007-06-28 — — US disclosed
US-20070123581-A1 Process for the synthesis of (2s, 3as, 7as)-1-[(s)-alanyl]-octahydro-1h-indole-2-carboxylic acid compounds and application in the synthesis of perindopril LES LABORATOIRES SERVIER (FR) 2007-05-31 — — US disclosed
US-20070093663-A1 Process for the synthesis of perindopril and pharmaceutically acceptable salts thereof. LES LABORATOIRES SERVIER (FR) 2007-04-26 — — US disclosed
WO-2007020012-A1 A PROCESS FOR THE PREPARATION OF PERINDOPRIL ERBUMINE LEK PHARMACEUTICALS D.D. (SI) 2007-02-22 — — WO disclosed
US-6835843-B2 Amidation, deprotected by catalytic hydrogenation, salt formation with tributylamine LES LABORATOIRES SERVIER (FR) 2004-12-28 — — US disclosed
US-20030069431-A1 Method for synthesis of perindopril and its pharmaceutically acceptable salts LES LABORATOIRES SERVIER (FR) 2003-04-10 — — 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 (5 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-20150252001-A1 PROCESS FOR PREPARATION OF PERINDOPRIL INTERMEDIATE PAH, HTR3B, TPMT TSHR 2719/4885CA1 3276/4885CA2 1990/4885
US-20070093663-A1 Process for the synthesis of perindopril and pharmaceutically acceptable salts thereof. QDPR, REN, ACE TSHR 4035/4885CA1 4683/4885CA2 3189/4885
US-20030069431-A1 Method for synthesis of perindopril and its pharmaceutically acceptable salts ACE, REN, DPYD TSHR 3776/4885CA1 4096/4885CA2 1908/4885
US-20070123581-A1 Process for the synthesis of (2s, 3as, 7as)-1-[(s)-alanyl]-octahydro-1h-indole-2-carboxylic acid compounds and application in the synthesis of perindopril CYP2S1, TPH1, AGTR1 TSHR 2979/4885CA1 2155/4885CA2 714/4885
US-20070149604-A1 Reacting perindopril in a solvent selected from N,N-dimethylformamide, dimethoxymethane, 2,2-dimethoxypropane and 1,2-dimethoxyethane with tert-butylamine, crystallization; stereospecific REN, AGTR2, AGTR1 TSHR 2109/4885CA1 3896/4885CA2 2137/4885

“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.

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