SCHEMBL3040765

SCHEMBL3040765

CCCC(C[C@](N)(C(=O)N[C@@H](CCC(=O)CBr)C(=O)O)C(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.38
MME P08473 3/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 1/20 0.38
FOLH1 Q04609 4/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL3037406 0.84 FOLH1 (0.42) ECE1MMESIRT2SIRT1FOLH1
SCHEMBL3046493 0.84 FOLH1 (0.42) ECE1MMESIRT2SIRT1FOLH1
SCHEMBL3054282 0.83 MME (0.43) ECE1MMESIRT2SIRT1FOLH1
SCHEMBL3042749 0.82 FOLH1 (0.42) ECE1MMESIRT2SIRT1FOLH1
SCHEMBL5689331 0.82 FOLH1 (0.33) SIRT2FOLH1
SCHEMBL3046195 0.81 CTSL (0.35) ECE1MMEFOLH1CTSL
SCHEMBL3053901 0.81 FOLH1 (0.40) ECE1MMEFOLH1
SCHEMBL3050998 0.80 ECE1 (0.43) ECE1MMESIRT2SIRT1FOLH1
SCHEMBL3049456 0.80 FOLH1 (0.39) ECE1MMESIRT2SIRT1FOLH1
Trifluoroacetic Acid SCHEMBL3044628 0.79 MME (0.42) ECE1MMESIRT2SIRT1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265537-B1 CYCLIC COMPOUNDS; NEMATOCIDES FOR HUMANS AND ANIMALS BAYER AKTIENGESELLSCHAFT (DE) 2001-07-24 US claimed
CN-110475776-B Tricyclic carboxamides for combating arthropods 拜耳作物科学股份公司 2024-03-19 CN disclosed
EP-4298908-A2 TRICYCLIC CARBOXAMIDES FOR THE CONTROL OF ARTHROPODS Bayer Animal Health GmbH (DE) 2024-01-03 EP disclosed
US-11825838-B2 Tricyclic carboxamides for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2023-11-28 US disclosed
EP-3601279-B1 TRICYCLIC CARBOXAMIDES AS CONTROL AGENT FOR ARTHROPODS BAYER ANIMAL HEALTH GMBH (DE) 2023-10-18 EP disclosed
US-20210106005-A1 TRICYCLIC CARBOXAMIDES FOR CONTROLLING ARTHROPODS ELANCO ANIMAL HEALTH GMBH (DE) 2021-04-15 US disclosed
US-10836732-B2 Compounds for combating arthropods BAYER ANIMAL HEALTH GMBH (DE) 2020-11-17 US disclosed
EP-3601279-A1 TRICYCLIC CARBOXAMIDES FOR CONTROLLING ARTHROPODS Bayer CropScience Aktiengesellschaft (DE) 2020-02-05 EP disclosed
US-10357036-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-23 US disclosed
US-10273226-B2 Pyrazolyl-heteroarylamides as pesticides BAYER ANIMAL HEALTH GMBH (DE) 2019-04-30 US disclosed
US-20050080272-A1 Halogenated nitrobutadienes for controlling animal pests BAYER CROPSCIENCE AG (DE) 2005-04-14 US disclosed
US-20050043333-A1 Quinazolinone derivative FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2005-02-24 US disclosed
US-20040077667-A1 Quinazolinone derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US disclosed
US-20040034048-A1 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-02-19 US disclosed
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 US disclosed
US-6306872-B1 TREATMENT OF ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DE) 2001-10-23 US disclosed
US-6291472-B1 4a, 5a, 8a, 8b-tetrahydro-6H-pyrrolo[3′,4′:4, 5]furo[3,2-b] pyri-dine-6,8(7H)-dione derivatives for control of endoparasites processes for their preparation BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6265537-B1 CYCLIC COMPOUNDS; NEMATOCIDES FOR HUMANS AND ANIMALS BAYER AKTIENGESELLSCHAFT (DE) 2001-07-24 US disclosed
US-6110928-A HUMAN OR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2000-08-29 US disclosed
US-6033879-A Process for the preparation of substituted aryl lactic acid containing cyclodepsipeptides with 24 ring atoms BAYER AKTIENGESELLSCHAFT (DE) 2000-03-07 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 (10 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-11825838-B2 Tricyclic carboxamides for controlling arthropods AADAC, FAAH, FAAH2 ECE1 579/4885MME 159/4885SIRT2 148/4885
US-20040034048-A1 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same VIP, NGLY1, NPEPPS ECE1 195/4885MME 90/4885SIRT2 4061/4885
US-20210106005-A1 TRICYCLIC CARBOXAMIDES FOR CONTROLLING ARTHROPODS AADAC, FAAH, FAAH2 ECE1 579/4885MME 159/4885SIRT2 148/4885
US-20050080272-A1 Halogenated nitrobutadienes for controlling animal pests HDHD5, OTUB1, CBR3 ECE1 4077/4885MME 1343/4885SIRT2 891/4885
US-20050043333-A1 Quinazolinone derivative PARP1, PARP11, PARP2 ECE1 2134/4885MME 3687/4885SIRT2 277/4885
US-10357036-B2 Compounds for controlling arthropods DDT, ACHE, NISCH ECE1 647/4885MME 183/4885SIRT2 1460/4885
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME VIP, NGLY1, NPEPPS ECE1 171/4885MME 91/4885SIRT2 4130/4885
US-10836732-B2 Compounds for combating arthropods PRDX4, SERPINB6, GSTA1 ECE1 396/4885MME 1068/4885SIRT2 2352/4885
US-20040077667-A1 Quinazolinone derivatives PARP1, PARP9, PARP2 ECE1 890/4885MME 3424/4885SIRT2 730/4885
US-10273226-B2 Pyrazolyl-heteroarylamides as pesticides CYP4Z1, NAT1, CYP4F3 ECE1 1009/4885MME 1764/4885SIRT2 1507/4885

“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.