SCHEMBL82825

SCHEMBL82825

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
LTA4H P09960 2/20 0.40
METAP2 P50579 2/20 0.35
CTSD P07339 2/20 0.33
CPB2 Q96IY4 1/20 0.33
BCHE P06276 6/20 0.32
BACE1 P56817 1/20 0.32
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
P2RY10 O00398 1/20 0.32
GPR174 Q9BXC1 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL3382009 1.00 CYP1A2 (0.41) CYP1A2CYP3A4LTA4HMETAP2CTSD
SCHEMBL81045 0.82 CYP1A2 (0.41) CYP1A2CYP3A4BCHEMMP1MMP8
SCHEMBL3382689 0.82 CYP1A2 (0.41) CYP1A2CYP3A4BCHEMMP1MMP8
SCHEMBL83287 0.80 CYP1A2 (0.51) CYP1A2CYP3A4METAP2CTSDBCHE
SCHEMBL81030 0.80 CYP1A2 (0.51) CYP1A2CYP3A4METAP2CTSDBCHE
SCHEMBL81032 0.80 CYP1A2 (0.51) CYP1A2CYP3A4METAP2CTSDBCHE
SCHEMBL83288 0.80 CYP1A2 (0.51) CYP1A2CYP3A4METAP2CTSDBCHE
SCHEMBL81031 0.80 CYP1A2 (0.51) CYP1A2CYP3A4METAP2CTSDBCHE
SCHEMBL82483 0.79 CYP1A2 (0.45) CYP1A2CYP3A4LTA4HMETAP2CTSD
SCHEMBL3381445 0.79 CYP1A2 (0.45) CYP1A2CYP3A4LTA4HMETAP2CTSD

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 22 patents — showing the first 20. 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-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-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
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
US-20070060502-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 US 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 4499/4885LTA4H 3139/4885
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 CYP1A2 3286/4885CYP3A4 4499/4885LTA4H 3139/4885

“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.