SCHEMBL4587792

SCHEMBL4587792

NC(=O)NC(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
THPO P40225 1/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
CA5A P35218 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL970099 0.75
SCHEMBL6729057 0.73 THRB (0.32) CA2
SCHEMBL6729052 0.73 CA2 (0.30) CA2
Hydrochloric Acid SCHEMBL27556276 0.73
SCHEMBL27792428 0.72 GAA (0.41) TSHRNFKB1LMNACYP1A2MAOA
SCHEMBL13830424 0.72 CRBN (0.32) TSHRNFKB1LMNACYP1A2MAOA
SCHEMBL1618316 0.71 CA2 (0.48) CA2CA5ACA9
SCHEMBL16499940 0.71
SCHEMBL27548803 0.67 CA2 (0.32) CA2
SCHEMBL29732540 0.65 TSHR (0.35) TSHRNFKB1LMNACYP1A2MAOA

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
WO-2023112856-A1 FUSED HETEROCYCLIC DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT クミアイ化学工業株式会社 2023-06-22 WO disclosed
US-20230110603-A1 3-ALKOXYBENZAMIDE DERIVATIVE, AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2023-04-13 US disclosed
EP-4098650-A1 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2022-12-07 EP disclosed
CN-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed
WO-2021153720-A1 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT クミアイ化学工業株式会社 2021-08-05 WO disclosed
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
EP-2840078-B1 ALKYLPHENYLSULPHIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-01-03 EP disclosed
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-07-28 US disclosed
US-9332754-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-05-10 US disclosed
US-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-03-26 US disclosed
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 US disclosed
US-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 US disclosed
US-6573266-B1 Compounds used for treating multitiple sclerosis and encephalomyelitis SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-6555537-B2 Inhibit activity of chemokines, macrophage inflammatory protein-1 (MIP-1 alpha) and RANTES; 1-((4-chlorophenoxy)methyl)-carbonyl-2-methyl-4-(4-fluorobenzyl)piperazine for example SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6541476-B1 Treating multiple sclerosis or encephalomyelitis in a human SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-6534509-B1 Derivatives are useful as anti-inflammatory agents. This invention is also directed to pharmacetutical compostions for inflammation SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 EP disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 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 (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-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TSHR 4777/4885NFKB1 53/4885LMNA 4370/4885
US-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 TSHR 1221/4885NFKB1 2820/4885LMNA 4259/4885
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 TSHR 1221/4885NFKB1 2820/4885LMNA 4259/4885
US-20230110603-A1 3-ALKOXYBENZAMIDE DERIVATIVE, AND PEST CONTROL AGENT CBR3, ALK, BRS3 TSHR 1118/4885NFKB1 2714/4885LMNA 3763/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TSHR 4777/4885NFKB1 53/4885LMNA 4370/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TSHR 4777/4885NFKB1 53/4885LMNA 4370/4885
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent C1S, TRPA1, STK39 TSHR 1221/4885NFKB1 2820/4885LMNA 4259/4885

“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.