SCHEMBL4817561

SCHEMBL4817561

COc1cccc2c1SC[C@H]1C2Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.31
NR1H3 Q13133 1/20 0.31
PGR P06401 3/20 0.31
RORA P35398 1/20 0.31
RORB Q92753 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
SCHEMBL4609283 1.00 RORC (0.31) RORCNR1H3PGRRORARORB
SCHEMBL4598797 0.90 PDK2 (0.31) NR1H3
SCHEMBL4813570 0.88
SCHEMBL4611413 0.88 RORC (0.32) RORCNR1H3PGR
SCHEMBL4817464 0.88 RORC (0.30) RORC
SCHEMBL4555172 0.88 RORC (0.30) RORC
SCHEMBL4815320 0.87
SCHEMBL4814715 0.85 RORC (0.31) RORCNR1H3PGRRORARORB
SCHEMBL4810522 0.85 HSD11B1 (0.38) PGR
SCHEMBL4815167 0.84 CYP3A4 (0.31) RORC

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 RORC 1561/4885NR1H3 7/4885PGR 3836/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP RORC 1561/4885NR1H3 7/4885PGR 3836/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP RORC 1561/4885NR1H3 7/4885PGR 3836/4885

“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.