SCHEMBL1000744

SCHEMBL1000744

CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.71
ITGA2B P08514 4/20 0.71
PTPN1 P18031 3/20 0.60
ACE P12821 1/20 0.59
HDAC8 Q9BY41 1/20 0.56
BCL2 P10415 1/20 0.53
CTSS P25774 6/20 0.53
CTSK P43235 5/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
PPARA Q07869 3/20 0.52
PPARG P37231 2/20 0.52
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGB5 P18084 1/20 0.49

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
SCHEMBL3188805 1.00 ITGB3 (0.71) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL3713178 1.00 ITGB3 (0.71) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL14485445 0.92 ITGB3 (0.62) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL14485443 0.92 ITGB3 (0.62) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL6685168 0.90 ITGB3 (0.79) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL6998950 0.90 ITGB3 (0.79) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL16173575 0.90 ITGB3 (0.58) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL15676430 0.89 ITGB3 (0.71) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL8366834 0.89 ITGB3 (0.57) ITGB3ITGA2BPTPN1HDAC8BCL2
SCHEMBL22604385 0.89 GAA (0.60) ITGB3ITGA2BPTPN1HDAC8BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767158-A FOR BLEACHING SKIN SHISEIDO CO., LTD. (JP) 1998-06-16 US claimed
US-20220396832-A1 COMPOSITIONS AND METHODS FOR SEQUENCING BY SYNTHESIS ILLUMINA CAMBRIDGE LIMITED (GB) 2022-12-15 US disclosed
US-11149041-B2 Process for the preparation of gadolinium complex of (4S)-4-(4-ethoxybenzyl)-3,6,9-tris(carboxylatomethyl)-3,6,9-triazaundecanedioic acid disodium (Gadoxetate disodium) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2021-10-19 US disclosed
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto UNIV EMORY (US) 2021-02-25 US disclosed
US-20200123178-A1 Novel Process for the Preparation of Gadolinium Complex of (4S)-4-(4-Ethoxybenzyl)-3,6,9-Tris(Carboxylatomethyl)-3,6,9-Triazaundecanedioic Acid Disodium (Gadoxetate Disodium) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2020-04-23 US disclosed
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2018-11-08 US disclosed
US-9700881-B2 Heterocyclic coupling catalysts and methods related thereto EMORY UNIVERSITY (US) 2017-07-11 US disclosed
WO-2017070157-A1 REDOX DEHYDRATION COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2017-04-27 WO disclosed
US-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2016-08-25 US disclosed
WO-2015054337-A1 HETEROCYCLIC COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2015-04-16 WO disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 WO disclosed
WO-2004048345-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-06-10 WO disclosed
US-20020151750-A1 Process to prepare (2S)-2-(dipropylamino)-6-ethoxy-2,3-dihydro-1H-indene-5-carboxamide CHEN JIONG JACK (US) 2002-10-17 US disclosed
EP-1208079-A1 ENANTIOMERICALLY-ENRICHED COMPOUNDS HAVING PHOTOCLEAVABLE BOND(S) AND METHODS RELATED THERETO Qiagen Genomics, Inc. (US) 2002-05-29 EP disclosed
WO-2002024631-A1 PROCESS TO PREPARE (2S)-2-(DIPROPYLAMINO)-6-ETHOXY-2,3-DIHYDRO-1H-INDENE-5-CARBOXAMIDE PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO disclosed
WO-2001016090-A1 ENANTIOMERICALLY-ENRICHED COMPOUNDS HAVING PHOTOCLEAVABLE BOND(S) AND METHODS RELATED THERETO QIAGEN GENOMICS, INC. (US) 2001-03-08 WO disclosed
US-5767158-A FOR BLEACHING SKIN SHISEIDO CO., LTD. (JP) 1998-06-16 US disclosed
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed
EP-0728469-A2 An endermic liniment SHISEIDO COMPANY LIMITED (JP) 1996-08-28 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 (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-20020151750-A1 Process to prepare (2S)-2-(dipropylamino)-6-ethoxy-2,3-dihydro-1H-indene-5-carboxamide QDPR, DHPS, IMPDH2 ITGB3 4295/4885ITGA2B 3340/4885PTPN1 4671/4885
US-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto HAT1, CBR3, CBR1 ITGB3 4021/4885ITGA2B 4502/4885PTPN1 4227/4885
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SELENOI ITGB3 3430/4885ITGA2B 3947/4885PTPN1 4184/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 ITGB3 4629/4885ITGA2B 4720/4885PTPN1 1046/4885
US-11149041-B2 Process for the preparation of gadolinium complex of (4S)-4-(4-ethoxybenzyl)-3,6,9-tris(carboxylatomethyl)-3,6,9-triazaundecanedioic acid disodium (Gadoxetate disodium) CA9, CA4, GLRX3 ITGB3 839/4885ITGA2B 1133/4885PTPN1 3045/4885
US-20200123178-A1 Novel Process for the Preparation of Gadolinium Complex of (4S)-4-(4-Ethoxybenzyl)-3,6,9-Tris(Carboxylatomethyl)-3,6,9-Triazaundecanedioic Acid Disodium (Gadoxetate Disodium) GLRX3, CA9, CA4 ITGB3 976/4885ITGA2B 1270/4885PTPN1 3478/4885
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SQOR ITGB3 3332/4885ITGA2B 3913/4885PTPN1 4173/4885

“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.