SCHEMBL3412433

SCHEMBL3412433

CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1CNC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
DGAT1 O75907 2/20 0.39
PDGFRB P09619 4/20 0.39
KDR P35968 4/20 0.39
MAPK1 P28482 4/20 0.36
ALPL P05186 1/20 0.36
SLC13A5 Q86YT5 1/20 0.35
HIF1A Q16665 2/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
SCN2A Q99250 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL3417194 0.86 PRMT5 (0.49) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL3450362 0.79 GSK3A (0.42) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL3516528 0.76 GSK3A (0.45) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL3792127 0.76 DGAT1 (0.43) GSK3AGSK3BDGAT1PDGFRBKDR
SCHEMBL17379073 0.76 PRMT5 (0.50) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL3027524 0.75 PDGFRB (0.41) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL18317561 0.74 GSK3A (0.39) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL3676643 0.73 ALPL (0.46) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL462679 0.73 AAK1 (0.47) GSK3AGSK3BAAK1DGAT1PDGFRB
SCHEMBL19915217 0.73 GSK3A (0.46) GSK3AGSK3BAAK1DGAT1PDGFRB

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-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR GSK3A 1695/4885GSK3B 2253/4885AAK1 3028/4885

“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.