SCHEMBL4437282

SCHEMBL4437282

CCOc1cccc2c1SCC1C2Nc2ccc(C(N)=O)cc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
LIN28A Q9H9Z2 1/20 0.36
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
TTK P33981 1/20 0.32
MAPK8 P45983 1/20 0.32
OPRM1 P35372 1/20 0.32
F10 P00742 4/20 0.32
F11 P03951 4/20 0.32
F7 P08709 4/20 0.32
AR P10275 1/20 0.31
PARP10 Q53GL7 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
SCHEMBL4819049 0.93 ALDH1A1 (0.38) MAPTGAAPOLBLIN28ATP53
SCHEMBL4815338 0.85 F10 (0.34) TSHROPRM1F10F11F7
SCHEMBL4817139 0.84 GAA (0.34) GAATSHRF10F11F7
SCHEMBL4611608 0.82 MAPK1 (0.36) MAPK1MAPTGAAPOLBLIN28A
SCHEMBL4448783 0.82 L3MBTL1 (0.35) MAPK1MAPTGAATP53ALDH1A1
SCHEMBL4556342 0.81 F2 (0.33) MAPTTP53F7
SCHEMBL4598797 0.81 PDK2 (0.31)
SCHEMBL4445605 0.77 MKNK1 (0.33) MAPK1MAPTTP53ALDH1A1TSHR
SCHEMBL4598627 0.76 GAA (0.38) MAPTGAAPOLBTP53ALDH1A1
SCHEMBL4566123 0.75 KMT2A (0.38) MAPK1MAPTGAAPOLBLIN28A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK1 3135/4885MAPT 4361/4885GAA 441/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP MAPK1 3135/4885MAPT 4361/4885GAA 441/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPK1 3135/4885MAPT 4361/4885GAA 441/4885

“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.