SCHEMBL4554638

SCHEMBL4554638

CCS(=O)(=O)N1CCN(C(=O)c2coc(-c3ccc4c(c3)C(C)(C)[C@H]3COc5cccc(F)c5[C@H]3N4)n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.35
PARP1 P09874 4/20 0.33
PDE4B Q07343 4/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ENPP1 P22413 1/20 0.30

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
SCHEMBL4556010 0.91 TLR9 (0.34) SCN9APDE4BLMNATSHRPOLB
SCHEMBL4813071 0.85 HDAC1 (0.33) PDE4B
SCHEMBL4565791 0.75 ALDH1A1 (0.41) PARP1USP2LMNATSHRPOLB
SCHEMBL4761650 0.75 APLNR (0.39) PDE4B
SCHEMBL4563541 0.73 MEN1 (0.36) USP2
SCHEMBL4598266 0.73 PKLR (0.39) PARP1USP2LMNATSHRPOLB
SCHEMBL4437480 0.66 ALDH1A1 (0.41) PARP1USP2LMNATSHRPOLB
SCHEMBL4556184 0.66 ALDH1A1 (0.41) PARP1USP2LMNATSHRPOLB
SCHEMBL4437149 0.66 HDAC1 (0.34) PDE4B
SCHEMBL4555633 0.64 PGR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US disclosed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 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 (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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP SCN9A 2891/4885PARP1 3512/4885PDE4B 279/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP SCN9A 2891/4885PARP1 3512/4885PDE4B 279/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP SCN9A 2891/4885PARP1 3512/4885PDE4B 279/4885

“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.