SCHEMBL4599358

SCHEMBL4599358

NCCCC[C@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.67
ALDH1A1 P00352 2/20 0.63
LMNA P02545 1/20 0.63
FOLH1 Q04609 6/20 0.59
TSHR P16473 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL4599368 1.00 CPB2 (0.67) CPB2ALDH1A1LMNAFOLH1TSHR
SCHEMBL4599834 1.00 CPB2 (0.67) CPB2ALDH1A1LMNAFOLH1TSHR
SCHEMBL8853611 0.88 ALDH1A1 (0.56) CPB2ALDH1A1FOLH1
SCHEMBL11207354 0.88 ALDH1A1 (0.56) CPB2ALDH1A1FOLH1
SCHEMBL4599706 0.88 CPB2 (0.54) CPB2ALDH1A1LMNAFOLH1TSHR
SCHEMBL4599701 0.88 CPB2 (0.54) CPB2ALDH1A1LMNAFOLH1TSHR
SCHEMBL4599775 0.88 CPB2 (0.54) CPB2ALDH1A1LMNAFOLH1TSHR
SCHEMBL4600004 0.87 CPB2 (0.53) CPB2ALDH1A1LMNAFOLH1MEN1
SCHEMBL4599998 0.87 CPB2 (0.53) CPB2ALDH1A1LMNAFOLH1MEN1
SCHEMBL4600604 0.84 CPB2 (0.69) CPB2ALDH1A1LMNAFOLH1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 CPB2 1198/4885ALDH1A1 1732/4885LMNA 1358/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CPB2 1322/4885ALDH1A1 2546/4885LMNA 786/4885

“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.