SCHEMBL4814715

SCHEMBL4814715

COc1cccc2c1C1Nc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3C(C)(C)C1CS2

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.31
NR1H3 Q13133 1/20 0.31
PGR P06401 4/20 0.31
RORA P35398 1/20 0.31
RORB Q92753 1/20 0.31
NR3C1 P04150 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 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
SCHEMBL4866034 0.91 NR3C1 (0.35) PGRNR3C1NR3C2AR
SCHEMBL4609283 0.85 RORC (0.31) RORCNR1H3PGRRORARORB
SCHEMBL4817561 0.85 RORC (0.31) RORCNR1H3PGRRORARORB
SCHEMBL4813632 0.85 CREBBP (0.35) PGR
SCHEMBL4813625 0.83 HCRTR1 (0.38)
SCHEMBL4610575 0.83 RORC (0.33) RORCNR1H3RORA
SCHEMBL4815167 0.82 CYP3A4 (0.31) RORC
SCHEMBL4895073 0.82 NR3C1 (0.35) RORCNR1H3PGRRORARORB
SCHEMBL4816048 0.81 KMT2A (0.34) PGRAR
SCHEMBL4814458 0.81 RORC (0.37) RORCPGRRORARORB

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.