SCHEMBL7602372

SCHEMBL7602372

CCC(=O)OC(OC(C)=O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE4D Q08499 1/20 0.41
KCNA5 P22460 4/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
CYP17A1 P05093 2/20 0.40
CYP19A1 P11511 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
TBXAS1 P24557 2/20 0.39

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
SCHEMBL17072863 0.89 ALDH1A1 (0.53) ALDH1A1HTTLMNAMAPK1SMN1; SMN2
SCHEMBL29790249 0.79 SMN1; SMN2 (0.46) ALDH1A1HTTLMNAMAPK1SMN1; SMN2
SCHEMBL31112942 0.79 SMN1; SMN2 (0.46) ALDH1A1HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL11866809 0.78 NAPRT (0.47) ALDH1A1HTTLMNASMN1; SMN2KCNA5
SCHEMBL2954086 0.78 ALDH1A1 (0.49) ALDH1A1HTTLMNAMAPK1SMN1; SMN2
SCHEMBL11241260 0.76 LMNA (0.43) ALDH1A1HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL27558665 0.75 CYP17A1 (0.58) ALDH1A1HTTLMNAMAPK1SMN1; SMN2
SCHEMBL7606503 0.74 CES2 (0.43) ALDH1A1LMNAMAPK1MAPTPOLB
SCHEMBL27495104 0.74 ALDH1A1 (0.48) ALDH1A1HTTLMNAMAPK1SMN1; SMN2
SCHEMBL29208568 0.74 CYP19A1 (0.53) ALDH1A1LMNAMAPK1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 484/4885HTT 4266/4885LMNA 1723/4885

“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.