SCHEMBL4556342

SCHEMBL4556342

COc1cccc2c1SCC1C2Nc2ccc(C(N)=S)cc2C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
F7 P08709 1/20 0.33
PRSS3 P35030 1/20 0.33
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL4813240 0.91 MAPT (0.35) F2PRSS1PRSS2F7PRSS3
SCHEMBL4810522 0.84 HSD11B1 (0.38) TP53MAPT
SCHEMBL4564292 0.82 F2 (0.34) F2PRSS1PRSS2F7PRSS3
SCHEMBL4598285 0.82 ALDH1A1 (0.37) TP53MAPT
SCHEMBL4816506 0.82 HPGD (0.33) MAPT
SCHEMBL4598623 0.82 HPGD (0.33) MAPT
SCHEMBL4437282 0.81 MAPK1 (0.36) F7TP53MAPT
SCHEMBL4598627 0.80 GAA (0.38) TP53MAPT
SCHEMBL4817561 0.80 RORC (0.31)
SCHEMBL4816710 0.79 KIF11 (0.36)

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 7 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
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.