SCHEMBL84092

SCHEMBL84092

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MMP8 P22894 2/20 0.41
MMP1 P03956 1/20 0.41
BCHE P06276 4/20 0.37
CTSD P07339 2/20 0.36
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
REN P00797 1/20 0.35
MMP2 P08253 1/20 0.35
CPB2 Q96IY4 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL84090 1.00 CYP1A2 (0.47) CYP1A2CYP3A4MMP8MMP1BCHE
SCHEMBL84091 1.00 CYP1A2 (0.47) CYP1A2CYP3A4MMP8MMP1BCHE
SCHEMBL81994 0.92 CYP1A2 (0.43) CYP1A2CYP3A4MMP8MMP1BCHE
SCHEMBL81993 0.92 CYP1A2 (0.43) CYP1A2CYP3A4MMP8MMP1BCHE
SCHEMBL81992 0.92 CYP1A2 (0.43) CYP1A2CYP3A4MMP8MMP1BCHE
SCHEMBL13004350 0.92 CYP1A2 (0.43) CYP1A2CYP3A4MMP8MMP1BCHE
SCHEMBL81030 0.89 CYP1A2 (0.51) CYP1A2CYP3A4MMP8MMP1BCHE
SCHEMBL81031 0.89 CYP1A2 (0.51) CYP1A2CYP3A4MMP8MMP1BCHE
SCHEMBL81032 0.89 CYP1A2 (0.51) CYP1A2CYP3A4MMP8MMP1BCHE
SCHEMBL83288 0.89 CYP1A2 (0.51) CYP1A2CYP3A4MMP8MMP1BCHE

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 14 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
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 CYP1A2 3286/4885CYP3A4 4499/4885MMP8 4848/4885
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 CYP1A2 3286/4885CYP3A4 4499/4885MMP8 4848/4885

“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.