SCHEMBL18216843

SCHEMBL18216843

CC(C)(C)OC(=O)N1CCCc2cc(C(C)(C)C)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ BRD4 O60885 1/20 0.52
▸ MPO P05164 1/20 0.50
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ NOTUM Q6P988 2/20 0.45
▸ TP53 P04637 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NR3C1 P04150 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.41
▸ TRIM24 O15164 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DHODH Q02127 1/20 0.40

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
SCHEMBL6752845 0.90 NOTUM (0.59) KDM4EBRD4MPOCYP3A4CYP2C9
SCHEMBL10256279 0.90 BRD4 (0.45) KDM4EBRD4MPONOTUMTP53
SCHEMBL7669258 0.86 NOTUM (0.57) KDM4EBRD4MPOCYP3A4CYP2C9
SCHEMBL3653863 0.85 ESR2 (0.55) KDM4EBRD4MPOHSD17B10
SCHEMBL21428260 0.85 KDM4E (0.73) KDM4EBRD4MPOHSD17B10NOTUM
SCHEMBL30674388 0.85 ESR2 (0.55) KDM4EBRD4MPOHSD17B10
SCHEMBL4948953 0.84 NOTUM (0.55) KDM4EBRD4MPOHSD17B10NOTUM
SCHEMBL5781463 0.84 KDM4E (0.53) KDM4EBRD4MPOHSD17B10NOTUM
SCHEMBL6846584 0.84 NR1H2 (0.56) KDM4EBRD4MPOHSD17B10NOTUM
SCHEMBL380901 0.84 KDM4E (0.53) KDM4EBRD4MPOHSD17B10CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326125-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-10 — — 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-20160326125-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, LPL KDM4E 409/4885BRD4 446/4885MPO 316/4885

“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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