SCHEMBL3383794

SCHEMBL3383794

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTSK P43235 3/20 0.38
CTSS P25774 2/20 0.38
METAP2 P50579 1/20 0.34
SRC P12931 3/20 0.33
KDM5A P29375 2/20 0.32
PHF8 Q9UPP1 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM4A O75164 1/20 0.32
REN P00797 3/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CACNA1B Q00975 1/20 0.32
KMT2A Q03164 1/20 0.32
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 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
SCHEMBL3383789 0.78 CTSS (0.40) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL425834 0.68 CTSK (0.48) CTSKCTSSKMT2A
SCHEMBL10161266 0.68 CTSK (0.48) CTSKCTSSKMT2A
SCHEMBL30064534 0.68 CTSK (0.45) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL3386088 0.68 CTSK (0.48) CTSKCTSSKMT2A
SCHEMBL30407324 0.66 REN (0.44) CTSKCTSSREN
SCHEMBL29918239 0.64 TDP1 (0.56) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL18762608 0.64 HDAC4 (0.52) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL18762617 0.64 CTSK (0.53) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL29980244 0.64 HDAC4 (0.58) HDAC4HDAC1HDAC6CTSKCTSS

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 7 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
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 HDAC4 4455/4885HDAC1 3036/4885HDAC6 4662/4885
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 HDAC4 4455/4885HDAC1 3036/4885HDAC6 4662/4885

“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.