SCHEMBL3990845

SCHEMBL3990845

COc1ccc(CN2C(=O)N(Cc3ccc(C(F)(F)F)cc3)CC2CCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ NOX4 Q9NPH5 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PKM P14618 1/20 0.38
▸ NPBWR1 P48145 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ BCHE P06276 1/20 0.37

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
SCHEMBL3987303 0.86 KCNA5 (0.40) KCNA5KCNH2MAPTLMNASMN1; SMN2
SCHEMBL3987812 0.86 LMNA (0.45) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6592289 0.85 ATM (0.41) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL3988359 0.84 LMNA (0.43) KCNA5KCNH2MAPTLMNASMN1; SMN2
SCHEMBL13792676 0.84 LMNA (0.43) KCNA5KCNH2MAPTLMNASMN1; SMN2
SCHEMBL3996224 0.80 DRD2 (0.37) LMNASMN1; SMN2ALDH1A1HTTPKM
SCHEMBL26103002 0.74 GRM2 (0.51) LMNASMN1; SMN2ALDH1A1PKMBCHE
SCHEMBL3988201 0.71 KCNA5 (0.47) KCNA5KCNH2NOX4MEN1KMT2A
SCHEMBL6592087 0.71 PTPN1 (0.38) NOX4MAPTLMNASMN1; SMN2MEN1
SCHEMBL3996461 0.71 PPARA (0.43) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544812-B2 For example, 2-(4-{2-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethoxy}-2-methyl-phenoxy)-2-methyl-propionic acid, 2-(4-{3-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-propyl}-2-methyl-phenoky)-2-methyl-propionic acid; for treating diabetes mellitus ELI LILLY AND COMPANY (US) 2009-06-09 — — US disclosed
US-20050020652-A1 Peroxisome proliferator activated receptor agonists ELI LILLY AND COMPANY 2005-01-27 — — 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 (1 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-20050020652-A1 Peroxisome proliferator activated receptor agonists PPARA, PPARD, PPARG KCNA5 3674/4885KCNH2 2660/4885NOX4 267/4885

“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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