SCHEMBL4564292

SCHEMBL4564292

COc1cccc2c1OCC1C2Nc2ccc(C(N)=S)cc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
F7 P08709 1/20 0.34
PRSS3 P35030 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
BACE1 P56817 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPK1 P28482 1/20 0.30
GAA P10253 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
SCHEMBL4554178 0.91 IRAK4 (0.35) F2PRSS1PRSS2F7PRSS3
SCHEMBL4555663 0.89 MAPT (0.38) F2PRSS1PRSS2F7PRSS3
SCHEMBL4884510 0.88 F2 (0.32) F2PRSS1PRSS2F7PRSS3
SCHEMBL4864827 0.85 ALDH1A1 (0.36) ALDH1A1TP53KDM4ESMN1; SMN2LMNA
SCHEMBL4555957 0.84 KMT2A (0.35) ALDH1A1TP53MAPTKDM4ELMNA
SCHEMBL4564321 0.84 KMT2A (0.35) ALDH1A1TP53MAPTKDM4ELMNA
SCHEMBL4556424 0.84 ALDH1A1 (0.35) ALDH1A1TP53MAPTKDM4EBACE1
SCHEMBL4555136 0.84 KMT2A (0.35) ALDH1A1TP53MAPTKDM4ELMNA
SCHEMBL4884506 0.83 ALDH1A1 (0.33) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL4555974 0.82 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EBACE1LMNA

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
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 WO 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
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 F2 4791/4885PRSS1 2101/4885PRSS2 2859/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP F2 4791/4885PRSS1 2101/4885PRSS2 2859/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP F2 4791/4885PRSS1 2101/4885PRSS2 2859/4885

“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.