SCHEMBL83572

SCHEMBL83572

CC(C)[C@H](NC(=O)[C@H](N)C(C)C)C(=O)NC[C@H](O)CP(=O)(O)CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 4/20 0.37
MMP8 P22894 3/20 0.37
BCHE P06276 3/20 0.35
MMP2 P08253 4/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
BACE1 P56817 2/20 0.32
METAP2 P50579 1/20 0.32
REN P00797 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL11984828 1.00 CYP3A4 (0.45) CYP3A4CYP1A2ALDH1A1MMP1MMP8
SCHEMBL3383056 1.00 CYP3A4 (0.45) CYP3A4CYP1A2ALDH1A1MMP1MMP8
SCHEMBL3383052 1.00 CYP3A4 (0.45) CYP3A4CYP1A2ALDH1A1MMP1MMP8
SCHEMBL83571 1.00 CYP3A4 (0.45) CYP3A4CYP1A2ALDH1A1MMP1MMP8
SCHEMBL81793 1.00 CYP3A4 (0.45) CYP3A4CYP1A2ALDH1A1MMP1MMP8
SCHEMBL81794 1.00 CYP3A4 (0.45) CYP3A4CYP1A2ALDH1A1MMP1MMP8
SCHEMBL82144 1.00 CYP3A4 (0.45) CYP3A4CYP1A2ALDH1A1MMP1MMP8
SCHEMBL81795 1.00 CYP3A4 (0.45) CYP3A4CYP1A2ALDH1A1MMP1MMP8
SCHEMBL13004352 1.00 CYP3A4 (0.45) CYP3A4CYP1A2ALDH1A1MMP1MMP8
SCHEMBL82145 1.00 CYP3A4 (0.45) CYP3A4CYP1A2ALDH1A1MMP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828974-B2 Substituted propane phosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2014-09-09 US claimed
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2012-08-16 US claimed
JP-4813469-B2 2011-11-09 JP claimed
EP-1765850-B1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMA INC (US) 2010-12-01 EP 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-B1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMA INC (US) 2010-12-01 EP 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 CYP3A4 4499/4885CYP1A2 3286/4885ALDH1A1 540/4885
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 CYP3A4 4499/4885CYP1A2 3286/4885ALDH1A1 540/4885

“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.