SCHEMBL4611413

SCHEMBL4611413

CC1(C)c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2NC2c3cccc(F)c3SCC21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.32
PGR P06401 1/20 0.32
KIF11 P52732 1/20 0.31
NR1I2 O75469 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
PTGES O14684 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
SCHEMBL4813570 0.90
SCHEMBL4597415 0.89 NR1I2 (0.32) RORCNR1I2NR1H2NR1H3
SCHEMBL4817561 0.88 RORC (0.31) RORCPGRNR1H3
SCHEMBL4609283 0.88 RORC (0.31) RORCPGRNR1H3
SCHEMBL4598797 0.86 PDK2 (0.31) NR1H3
SCHEMBL4610575 0.85 RORC (0.33) RORCNR1I2NR1H2NR1H3
SCHEMBL4815320 0.83
SCHEMBL4611246 0.83 RORC (0.31) RORC
SCHEMBL4611107 0.82 RORC (0.31) RORC
SCHEMBL4569672 0.81 KIF11 (0.32) RORCPGRKIF11NR1I2NR1H2

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 6 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
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 WO 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 (2 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 1561/4885PGR 3836/4885KIF11 4094/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP RORC 1561/4885PGR 3836/4885KIF11 4094/4885

“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.