SCHEMBL3386554

SCHEMBL3386554

CC(C)(C)OC(=O)NCC(O)CP(=O)(O)CC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
EPHX1 P07099 1/20 0.42
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
GAA P10253 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA9 Q16790 1/20 0.35
METAP1 P53582 1/20 0.34
BCHE P06276 3/20 0.33
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL3386548 1.00 CYP1A2 (0.46) CYP1A2CYP3A4EPHX1CTSSCTSK
SCHEMBL3386550 1.00 CYP1A2 (0.46) CYP1A2CYP3A4EPHX1CTSSCTSK
SCHEMBL3383789 0.81 CTSS (0.40) CYP1A2CYP3A4CTSSCTSKBCHE
SCHEMBL13004796 0.80 EPHX1 (0.37) CYP1A2CYP3A4EPHX1CTSSCTSK
SCHEMBL3627651 0.79 ACACB (0.40) BCHE
SCHEMBL3627659 0.79 ACACB (0.40) BCHE
SCHEMBL3627656 0.79 ACACB (0.40) BCHE
SCHEMBL83288 0.79 CYP1A2 (0.51) CYP1A2CYP3A4CA12CA1CA2
SCHEMBL81032 0.79 CYP1A2 (0.51) CYP1A2CYP3A4CA12CA1CA2
SCHEMBL81030 0.79 CYP1A2 (0.51) CYP1A2CYP3A4CA12CA1CA2

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-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
US-7687540-B2 Substituted propane phosphinic acid esters AVENTIS PHARMACEUTICALS INC. (US) 2010-03-30 US disclosed
EP-1851234-B1 SUBSTITUTED PROPANE PHOSPHINIC ACID ESTERS AVENTIS PHARMA INC (US) 2009-01-07 EP disclosed
US-20070270385-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID ESTERS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-22 US disclosed
EP-1851234-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID ESTERS Aventis Pharmaceuticals, Inc. (US) 2007-11-07 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-2006086734-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID ESTERS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-17 WO 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 (3 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-20070270385-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID ESTERS PHOSPHO1, PTEN, GRIA1 CYP1A2 3382/4885CYP3A4 4138/4885EPHX1 618/4885
US-20070060502-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 CYP1A2 3286/4885CYP3A4 4499/4885EPHX1 1024/4885
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 CYP1A2 3286/4885CYP3A4 4499/4885EPHX1 1024/4885

“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.