SCHEMBL4815167

SCHEMBL4815167

COc1ccc(Br)c2c1SC[C@@H]1[C@H]2Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2C1(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
ESRRA P11474 1/20 0.31
RORC P51449 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
SCHEMBL4817464 0.84 RORC (0.30) RORC
SCHEMBL4555172 0.84 RORC (0.30) RORC
SCHEMBL4609283 0.84 RORC (0.31) RORC
SCHEMBL4817561 0.84 RORC (0.31) RORC
SCHEMBL4762777 0.82
SCHEMBL4814715 0.82 RORC (0.31) RORC
SCHEMBL4814458 0.76 RORC (0.37) RORC
SCHEMBL4611246 0.75 RORC (0.31) RORC
SCHEMBL4611413 0.75 RORC (0.32) RORC
SCHEMBL4556457 0.75

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 CYP3A4 1976/4885ESRRA 584/4885RORC 1561/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP CYP3A4 1976/4885ESRRA 584/4885RORC 1561/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP CYP3A4 1976/4885ESRRA 584/4885RORC 1561/4885

“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.