SCHEMBL4611076

SCHEMBL4611076

CC1(C)c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2NC2c3cc(OC(F)(F)F)ccc3SCC21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
CCR6 P51684 7/20 0.31
KCNH2 Q12809 3/20 0.31
RORC P51449 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
SCHEMBL4818085 1.00 KIF11 (0.35) KIF11NR1H2NR1H3BCL2L1MCL1
SCHEMBL4814458 0.92 RORC (0.37) NR1H2CCR6KCNH2RORC
SCHEMBL4610350 0.86
SCHEMBL4556457 0.86
SCHEMBL4556198 0.86
SCHEMBL4610575 0.85 RORC (0.33) NR1H2NR1H3RORC
SCHEMBL4564232 0.82 HCRTR2 (0.38) KIF11NR1H2NR1H3BCL2L1MCL1
SCHEMBL4566002 0.82 HCRTR2 (0.38) KIF11NR1H2NR1H3BCL2L1MCL1
SCHEMBL4820464 0.80 AR (0.31)
SCHEMBL4815963 0.78 PRKAB2 (0.32)

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
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
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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 (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 KIF11 4094/4885NR1H2 6/4885NR1H3 7/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP KIF11 4094/4885NR1H2 6/4885NR1H3 7/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP KIF11 4094/4885NR1H2 6/4885NR1H3 7/4885

“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.