SCHEMBL3761090

SCHEMBL3761090

CC(C)(C)OC(=O)N1CCOc2ccc(C=O)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 6/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ ESR2 Q92731 1/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ MAPK1 P28482 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CREBBP Q92793 2/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ SCD5 Q86SK9 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL31576025 0.91 ESR2 (0.49) RIPK1HDAC1ESR2NR1H2MAPK1
SCHEMBL12694450 0.89 HDAC1 (0.48) RIPK1HDAC1ESR2NR1H2MAPK1
SCHEMBL15783749 0.87 HDAC1 (0.53) RIPK1HDAC1ESR2NR1H2MAPK1
SCHEMBL12694452 0.85 HDAC1 (0.54) RIPK1HDAC1ESR2NR1H2MAPK1
SCHEMBL19657617 0.84 RIPK1 (0.64) RIPK1ESR2NR1H2MAPK1USP2
SCHEMBL856288 0.83 RIPK1 (0.48) RIPK1HDAC1ESR2NR1H2MAPK1
SCHEMBL13765601 0.83 RIPK1 (0.48) RIPK1ESR2NR1H2MAPK1USP2
SCHEMBL30405260 0.83 RIPK1 (0.48) RIPK1HDAC1ESR2NR1H2MAPK1
SCHEMBL2727759 0.82 RIPK1 (0.47) RIPK1ESR2NR1H2MAPK1USP2
SCHEMBL3762084 0.82 RIPK1 (0.47) RIPK1ESR2NR1H2MAPK1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 — — US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 — — US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 — — WO disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 — — WO 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR RIPK1 1682/4885HDAC1 264/4885ESR2 4140/4885

“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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