SCHEMBL81046

SCHEMBL81046

NC(CCC(=O)O)C(=O)N(O)CCCP(=O)(O)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.38
PHF8 Q9UPP1 3/20 0.38
KDM2A Q9Y2K7 3/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM4A O75164 1/20 0.38
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRM7 Q14831 1/20 0.35
GRM4 Q14833 1/20 0.35
METAP1 P53582 1/20 0.35
ALOX5 P09917 1/20 0.34
FOLH1 Q04609 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL82826 0.77 KDM5A (0.37) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL10901126 0.72 LMNA (0.43) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL6037818 0.72 FOLH1 (0.47) FOLH1
SCHEMBL7608860 0.71 FOLH1 (0.55) FOLH1
SCHEMBL23881966 0.69 METAP1 (0.49) METAP1FOLH1
SCHEMBL2954900 0.69 METAP1 (0.47) METAP1ALOX5
SCHEMBL3382689 0.68 CYP1A2 (0.41) DPP4DPP9GRM8GRM6GRM7
SCHEMBL81045 0.68 CYP1A2 (0.41) DPP4DPP9GRM8GRM6GRM7
SCHEMBL23881965 0.68 METAP1 (0.46) GRM8GRM6GRM7GRM4METAP1
SCHEMBL5057914 0.67 GRM3 (0.63) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183231-B2 Substituted propane phosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2012-05-22 US claimed
JP-4813469-B2 2011-11-09 JP claimed
JP-2008503448-A 2008-02-07 JP claimed
EP-1765850-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES Aventis Pharmaceuticals, Inc. (US) 2007-03-28 EP claimed
US-20070060502-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 US claimed
WO-2005118618-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2005-12-15 WO claimed
US-8828974-B2 Substituted propane phosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2014-09-09 US disclosed
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2012-08-16 US disclosed
US-8183231-B2 Substituted propane phosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2012-05-22 US disclosed
EP-1765850-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES Aventis Pharmaceuticals, Inc. (US) 2007-03-28 EP disclosed
US-20070060502-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 US disclosed
WO-2005118618-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2005-12-15 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 (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-20070060502-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 KDM5A 3791/4885PHF8 2063/4885KDM2A 3487/4885
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 KDM5A 3791/4885PHF8 2063/4885KDM2A 3487/4885

“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.