SCHEMBL3089291

SCHEMBL3089291

CCOC(=O)C(Cc1cnn(C)c1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
OPRM1 P35372 2/20 0.40
PKM P14618 1/20 0.40
OPRD1 P41143 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.37
OPRK1 P41145 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
MMP8 P22894 1/20 0.35
APP P05067 1/20 0.34
HPGD P15428 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL3088265 0.84 KMT2A (0.43) ALDH1A1KMT2APKML3MBTL1TP53
SCHEMBL3092372 0.78 GPR119 (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL3097061 0.77 ALDH1A1 (0.49) ALDH1A1KMT2APKML3MBTL1RECQL
SCHEMBL28574588 0.76 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1OPRM1PKM
SCHEMBL3097754 0.76 HSD17B10 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL3083956 0.76 DRD4 (0.59) ALDH1A1KMT2AMEN1MAPTHSD17B10
SCHEMBL3100132 0.75 LMNA (0.48) ALDH1A1SMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL6133131 0.74 CYP4F2 (0.51) ALDH1A1KMT2AMEN1OPRM1PKM
SCHEMBL21216064 0.73 MEN1 (0.42) ALDH1A1KMT2AMEN1OPRM1SMN1; SMN2
SCHEMBL17007821 0.73 PIN1 (0.36) ALDH1A1KMT2AMEN1OPRM1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 ALDH1A1 617/4885KMT2A 1948/4885MEN1 2509/4885

“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.