SCHEMBL4813240

SCHEMBL4813240

COc1cccc2c1SCC1C2Nc2ccc(C(N)=O)cc2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
F7 P08709 7/20 0.33
F2 P00734 4/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
F10 P00742 6/20 0.33
F11 P03951 3/20 0.33
POLB P06746 2/20 0.32
PARP1 P09874 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP1A2 P05177 1/20 0.31
MDM2 Q00987 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
SCHEMBL4556342 0.91 F2 (0.33) MAPTTP53F7F2PRSS1
SCHEMBL4437282 0.90 MAPK1 (0.36) MAPTTP53F7F10F11
SCHEMBL4815338 0.87 F10 (0.34) F7F10F11PARP1
SCHEMBL4817139 0.87 GAA (0.34) F7F10F11PARP1
SCHEMBL4445605 0.85 MKNK1 (0.33) MAPTTP53F7MKNK1MKNK2
SCHEMBL4810522 0.84 HSD11B1 (0.38) MAPTTP53TDP1ALDH1A1KMT2A
SCHEMBL4598627 0.83 GAA (0.38) MAPTTP53POLBTDP1ALDH1A1
SCHEMBL4819049 0.82 ALDH1A1 (0.38) MAPTTP53POLBCYP1A2TDP1
SCHEMBL4817855 0.82 ALDH1A1 (0.37) MAPTTP53POLBTDP1ALDH1A1
SCHEMBL4598285 0.82 ALDH1A1 (0.37) MAPTTP53POLBTDP1ALDH1A1

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-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
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

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 MAPT 4361/4885TP53 4391/4885F7 4825/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP MAPT 4361/4885TP53 4391/4885F7 4825/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPT 4361/4885TP53 4391/4885F7 4825/4885

“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.