SCHEMBL4816710

SCHEMBL4816710

COc1cccc2c1SC[C@@H]1[C@H]2Nc2ccc(OC(F)(F)F)cc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
HCRTR1 O43613 9/20 0.35
HCRTR2 O43614 9/20 0.35
TACR1 P25103 5/20 0.35
KCNH2 Q12809 2/20 0.33
CYP2D6 P10635 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
IDH1 O75874 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CYP3A4 P08684 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
SCHEMBL4810522 0.86 HSD11B1 (0.38) HTR2AHTR2CHTR2B
SCHEMBL4813625 0.85 HCRTR1 (0.38) KIF11HCRTR1HCRTR2TACR1KCNH2
SCHEMBL4817561 0.83 RORC (0.31)
SCHEMBL4609283 0.83 RORC (0.31)
SCHEMBL4598285 0.82 ALDH1A1 (0.37) KCNH2HTR2C
SCHEMBL4817855 0.82 ALDH1A1 (0.37) KCNH2HTR2C
SCHEMBL4816506 0.82 HPGD (0.33) KIF11
SCHEMBL4598623 0.82 HPGD (0.33) KIF11
SCHEMBL4629687 0.81 TACR1 (0.38) KIF11HCRTR1HCRTR2TACR1KCNH2
SCHEMBL4556342 0.79 F2 (0.33)

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 KIF11 4094/4885HCRTR1 3527/4885HCRTR2 3099/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP KIF11 4094/4885HCRTR1 3527/4885HCRTR2 3099/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP KIF11 4094/4885HCRTR1 3527/4885HCRTR2 3099/4885

“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.