SCHEMBL3225557

SCHEMBL3225557

COc1ccc(N(C(=O)O)C(C)(C)C)c(C(C(C)=O)C2CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ACHE P22303 2/20 0.32
▸ CPS1 P31327 1/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ HPGDS O60760 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL7412320 0.73 HTT (0.43) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL2548460 0.73 LMNA (0.43) ALDH1A1CYP3A4CYP1A2HSD17B10GAA
SCHEMBL6117253 0.72 MEN1 (0.38) ALDH1A1CYP3A4MAPK1CYP1A2SMN1; SMN2
SCHEMBL3225566 0.69 DRD2 (0.40) ALDH1A1HPGDACHEPOLBCYP1A2
SCHEMBL6984545 0.68 MEN1 (0.50) ALDH1A1GAA
SCHEMBL6117811 0.68 HSD17B10 (0.39) ALDH1A1POLBHSD17B10
SCHEMBL2219445 0.66 AKR1C3 (0.46) ALDH1A1HPGDMAPK1POLBSMN1; SMN2
SCHEMBL2219452 0.66 AKR1C3 (0.46) ALDH1A1HPGDMAPK1POLBSMN1; SMN2
SCHEMBL15408695 0.65 HSD17B10 (0.36) TP53MAPK1CYP1A2SMN1; SMN2HSD17B10
SCHEMBL2117365 0.65 SMN1; SMN2 (0.47) TP53ALDH1A1HPGDSMN1; SMN2GAA

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-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 — — US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 — — 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 (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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 TP53 1311/4885ALDH1A1 2736/4885HPGD 2155/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR TP53 1032/4885ALDH1A1 3178/4885HPGD 2314/4885

“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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