SCHEMBL6488027

SCHEMBL6488027

CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C3=C(c4ccc(C(F)(F)F)cc4)CCCC3)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.50
▸ MAPT P10636 1/20 0.48
▸ JAK2 O60674 2/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ PTK2 Q05397 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NR1H2 P55055 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ TMPRSS2 O15393 4/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ APOB P04114 3/20 0.42
▸ MTTP P55157 3/20 0.42
▸ RAF1 P04049 1/20 0.41
▸ BRAF P15056 1/20 0.41

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
SCHEMBL1187947 0.84 ESR2 (0.58) ESR2MAPTJAK2JAK3PTK2
SCHEMBL6974148 0.83 MTTP (0.59) ESR2MAPTJAK2JAK3PTK2
SCHEMBL6496929 0.82 MAPT (0.57) ESR2MAPTNPC1NAMPT
SCHEMBL31022135 0.81 ESR2 (0.65) ESR2MAPTJAK2JAK3PTK2
SCHEMBL14585872 0.80 MTTP (0.54) JAK2JAK3PTK2ABCB1APOB
SCHEMBL8587342 0.79 APOB (0.52) ESR2JAK2JAK3PTK2NAMPT
SCHEMBL6531877 0.79 SMN1; SMN2 (0.54) MAPT
SCHEMBL6487457 0.78 DRD2 (0.47) ABCB1APOBMTTP
SCHEMBL1188136 0.78 ESR2 (0.55) ESR2MAPTJAK2JAK3PTK2
SCHEMBL20704305 0.78 ESR2 (0.63) ESR2MAPTJAK2JAK3PTK2

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 — — 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 ESR2 338/4885MAPT 4202/4885JAK2 1060/4885

“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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