Sugi Predict

Sugi Predict / Compounds / SCHEMBL3778795

SCHEMBL3778795

SCHEMBL3778795

O=C(N[C@@H](CCBr)C(=O)O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.54
▸ PPARG P37231 1/20 0.54
▸ CTSK P43235 3/20 0.53
▸ TACR1 P25103 2/20 0.53
▸ FOLH1 Q04609 1/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.53
▸ CTRB1 P17538 2/20 0.52
▸ CTSL P07711 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CTSS P25774 1/20 0.52
▸ IDO1 P14902 1/20 0.52
▸ TDO2 P48775 1/20 0.52
▸ CASP1 P29466 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ ALOX15 P16050 1/20 0.51

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
SCHEMBL5701914 1.00 PPARA (0.54) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL19520868 0.92 FOLH1 (0.57) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL4141813 0.92 FOLH1 (0.57) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL2064380 0.91 CTSK (0.53) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL2064382 0.91 CTSK (0.53) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL1111096 0.89 KYNU (0.60) CTSKTACR1SIRT2SIRT1CTRB1
SCHEMBL1111168 0.89 KYNU (0.60) CTSKTACR1SIRT2SIRT1CTRB1
SCHEMBL1111092 0.89 KYNU (0.60) CTSKTACR1SIRT2SIRT1CTRB1
SCHEMBL29383012 0.89 KYNU (0.60) CTSKTACR1SIRT2SIRT1CTRB1
SCHEMBL8387978 0.88 FOLH1 (0.65) PPARAPPARGCTSKFOLH1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624011-A Preparation method of L-pyroglutamic acid-14C 长沙贝塔医药科技有限公司 2024-03-01 — — CN disclosed
CN-113453554-B herbicidal composition 先正达农作物保护股份公司 2023-09-05 — — CN disclosed
CN-111032640-B Herbicidal compounds 先正达参股股份有限公司 2023-08-08 — — CN disclosed
EP-3923724-B1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-07-26 — — EP disclosed
US-11618743-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-04-04 — — US disclosed
US-20220192195-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 — — US disclosed
US-20220159956-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-05-26 — — US disclosed
US-20220142162-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-05-12 — — US disclosed
US-20220125052-A1 Herbicidal Compositions SYNGENTA CROP PROTECTION AG (CH) 2022-04-28 — — US disclosed
US-20220125051-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2022-04-28 — — US disclosed
WO-2020164925-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
WO-2020164971-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
WO-2020164920-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
EP-3668855-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2020-06-24 — — EP disclosed
WO-2019034757-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-21 — — WO disclosed
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 — — US disclosed
US-20090203711-A1 Inhibitors of P38 Map Kinase CHROMA THERAPEUTICS LTD. (GB) 2009-08-13 — — US disclosed
EP-2079743-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER Chroma Therapeutics Limited (GB) 2009-07-22 — — EP disclosed
WO-2008053157-A1 AMINOHETEROARYL COMPOUNDS AS FOR THE TREATMENT OF DISEASES MEDIATED BY C-MET KINASE ACTIVITY CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 — — WO disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 — — 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 (8 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-20220142162-A1 HERBICIDAL COMPOSITIONS PPOX, DDT, HPD PPARA 962/4885PPARG 775/4885CTSK 2658/4885
US-20220159956-A1 HERBICIDAL COMPOSITIONS DDT, HPD, DHFR PPARA 555/4885PPARG 351/4885CTSK 2985/4885
US-20090203711-A1 Inhibitors of P38 Map Kinase MAPK1, MAPK3, CNKSR1 PPARA 2557/4885PPARG 1754/4885CTSK 1291/4885
US-11618743-B2 Herbicidal compounds DDT, ACHE, GSTO1 PPARA 367/4885PPARG 180/4885CTSK 2004/4885
US-20220125052-A1 Herbicidal Compositions DDT, HPD, DHFR PPARA 593/4885PPARG 520/4885CTSK 3260/4885
US-20220125051-A1 PRE-HARVEST DESICCATION METHOD GMDS, TREH, DAD1 PPARA 2979/4885PPARG 2232/4885CTSK 2122/4885
US-20220192195-A1 HERBICIDAL COMPOSITIONS GLO1, LCT, HACL2 PPARA 2247/4885PPARG 1843/4885CTSK 1377/4885
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 PPARA 2353/4885PPARG 3299/4885CTSK 983/4885

“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.