Sugi Predict

Sugi Predict / Compounds / SCHEMBL3713178

SCHEMBL3713178

SCHEMBL3713178

CCOc1ccc(CC(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
SCHEMBL1000744 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218875-B Method for synthesizing arginine-containing peptides 帝斯曼知识产权资产管理有限公司 2024-10-11 — — CN disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
CN-113004286-B Tricyclic compounds as plasma kallikrein inhibitors and uses thereof 成都康弘药业集团股份有限公司 2022-08-12 — — CN disclosed
CN-113004284-B Tetracyclic compounds as plasma kallikrein inhibitors and uses thereof 成都康弘药业集团股份有限公司 2022-08-12 — — CN disclosed
CN-113004283-B Tetracyclic compounds as plasma kallikrein inhibitors and uses thereof 成都康弘药业集团股份有限公司 2022-08-12 — — CN disclosed
CN-113004283-A Tetracyclic compounds as plasma kallikrein inhibitors and uses thereof 成都康弘药业集团股份有限公司 2021-06-22 — — CN disclosed
CN-113004284-A Tetracyclic compounds as plasma kallikrein inhibitors and uses thereof 成都康弘药业集团股份有限公司 2021-06-22 — — CN disclosed
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto UNIV EMORY (US) 2021-02-25 — — 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
CN-103582644-B Phthalazinone-Pyrrolopyrimidine Carboxamide Derivatives 塔科达有限责任公司 2016-07-20 — — CN disclosed
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-07-14 — — US disclosed
WO-2015054337-A1 HETEROCYCLIC COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2015-04-16 — — WO disclosed
WO-2010091164-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE EXELIXIS, INC. (US) 2010-08-12 — — WO disclosed
US-20070185128-A1 Compounds and compositions for treating obesity NOVO NORDISK A/S (DK) 2007-08-09 — — US disclosed
EP-1572669-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-14 — — EP disclosed
WO-2004048345-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-06-10 — — WO disclosed
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 — — WO 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-20070185128-A1 Compounds and compositions for treating obesity MC4R, MC5R, MC3R ITGB3 3550/4885ITGA2B 3427/4885PTPN1 2205/4885
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-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS UTS2R, ADORA3, P2RX7 ITGB3 3095/4885ITGA2B 2699/4885PTPN1 3592/4885
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.