SCHEMBL22407007

SCHEMBL22407007

COC(=O)C(=O)c1ccc(Oc2ccc(F)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.43
▸ S1PR2 O95136 3/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ PPARD Q03181 8/20 0.42
▸ PPARG P37231 3/20 0.42
▸ GSTP1 P09211 1/20 0.40
▸ BRAF P15056 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ LGALS8 O00214 1/20 0.39

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
SCHEMBL22406946 0.88 FLT1 (0.48) BRAFHDAC1JAK2TYK2
SCHEMBL22407053 0.88 MAPT (0.49) JAK2TYK2
SCHEMBL29380080 0.88 FLT1 (0.48) BRAFHDAC1JAK2TYK2
SCHEMBL22407112 0.87 CHEK2 (0.42) PPARASCN9APPARGJAK2TYK2
SCHEMBL22406911 0.87 SCN9A (0.45) SCN9AJAK2TYK2
SCHEMBL22407111 0.87 KMO (0.48) SCN9AJAK2TYK2
SCHEMBL22407018 0.86 AKR1C3 (0.40) JAK2TYK2
SCHEMBL28385096 0.85 LMNA (0.47) SCN9A
SCHEMBL3139349 0.85 HPGD (0.47) PPARAS1PR2SCN9APPARDPPARG
SCHEMBL22406829 0.85 CYP11B1 (0.44) PPARAPPARDPPARGGSTP1JAK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3712135-B1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE KUREHA CORP (JP) 2023-05-03 — — EP disclosed
CN-111032631-B Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2021-05-07 — — CN disclosed
US-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material KUREHA CORPORATION (JP) 2021-03-16 — — US disclosed
EP-3712135-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE Kureha Corporation (JP) 2020-09-23 — — EP disclosed
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL KUREHA CORPORATION (JP) 2020-09-17 — — US disclosed
CN-111032631-A Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2020-04-17 — — CN 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 (2 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-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material NOS2, NOS1, CYP51A1 PPARA 3915/4885S1PR2 4637/4885SCN9A 254/4885
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL NOS2, NOS1, CYP51A1 PPARA 3915/4885S1PR2 4637/4885SCN9A 254/4885

“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.

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