Sugi Predict

Sugi Predict / Compounds / SCHEMBL1357445

SCHEMBL1357445

SCHEMBL1357445

COc1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 6/20 0.47
▸ HTR6 P50406 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ MTNR1A P48039 5/20 0.41
▸ MTNR1B P49286 4/20 0.40
▸ AKR1C4 P17516 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL29992688 1.00 AKR1C3 (0.47) AKR1C3HTR6L3MBTL1PDE10AAKR1C2
SCHEMBL29992656 1.00 AKR1C3 (0.47) AKR1C3HTR6L3MBTL1PDE10AAKR1C2
SCHEMBL29992649 0.91 HTR6 (0.42) AKR1C3HTR6L3MBTL1PDE10AAKR1C2
SCHEMBL31370660 0.90 HTR6 (0.40) AKR1C3HTR6L3MBTL1PDE10AAKR1C2
SCHEMBL25359474 0.88 PDE10A (0.44) AKR1C3HTR6L3MBTL1PDE10AALDH1A1
SCHEMBL29992635 0.87 HTR6 (0.46) AKR1C3HTR6L3MBTL1PDE10AMTNR1A
SCHEMBL31370669 0.87 HTR6 (0.43) AKR1C3HTR6L3MBTL1PDE10AALDH1A1
SCHEMBL31370509 0.86 L3MBTL1 (0.49) AKR1C3HTR6L3MBTL1PDE10ATSHR
SCHEMBL31370555 0.86 HTR6 (0.43) AKR1C3HTR6L3MBTL1PDE10AMEN1
SCHEMBL18386657 0.85 AKR1C3 (0.48) AKR1C3HTR6L3MBTL1PDE10AAKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254081-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2024-08-01 — — US disclosed
EP-4334285-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS Kare Chemical Technologies Inc. (CA) 2024-03-13 — — EP disclosed
WO-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 — — WO disclosed
WO-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 — — WO disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 — — EP disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 — — WO disclosed
EP-3331530-A1 MTHFD2 INHIBITORS AND USES THEREOF Raze Therapeutics Inc. (US) 2018-06-13 — — EP disclosed
WO-2017023894-A1 MTHFD2 INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-02-09 — — WO disclosed
WO-2017023894-A1 MTHFD2 INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-02-09 — — WO disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 — — US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 — — US disclosed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 — — US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 — — US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 — — US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 — — EP disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 — — US disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 — — WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 — — EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 — — 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 (6 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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 AKR1C3 806/4885HTR6 1317/4885L3MBTL1 2911/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 AKR1C3 1503/4885HTR6 2043/4885L3MBTL1 4557/4885
US-20240254081-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS HNMT, TPSB2, TPSG1 AKR1C3 1859/4885HTR6 45/4885L3MBTL1 4653/4885
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 AKR1C3 86/4885HTR6 1980/4885L3MBTL1 4805/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 AKR1C3 935/4885HTR6 863/4885L3MBTL1 2911/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 AKR1C3 1785/4885HTR6 1744/4885L3MBTL1 4695/4885

“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.