SCHEMBL4564087

SCHEMBL4564087

COc1cccc2c1C1Nc3ccc(CS(=O)(=O)CN)cc3C(C)(C)C1CO2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.31
HCRTR1 O43613 3/20 0.30
HCRTR2 O43614 3/20 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
SCHEMBL4563266 0.86 ALDH1A1 (0.32)
SCHEMBL4570046 0.85 HCRTR1 (0.32) HTR1AHCRTR1HCRTR2
SCHEMBL4598842 0.82 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL4629092 0.82 HSD11B1 (0.35) HCRTR1HCRTR2
SCHEMBL4563791 0.82 HSD11B1 (0.35) HCRTR1HCRTR2
SCHEMBL4611109 0.81 FFAR1 (0.31) HCRTR1HCRTR2
SCHEMBL4855306 0.80 NR3C1 (0.35) HTR1A
SCHEMBL4848567 0.80 PTGS2 (0.37)
SCHEMBL4565861 0.80 MAPT (0.34)
SCHEMBL4866562 0.80 HSP90AA1 (0.34)

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
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
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
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO 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 HTR1A 2598/4885HCRTR1 3527/4885HCRTR2 3099/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HTR1A 2598/4885HCRTR1 3527/4885HCRTR2 3099/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HTR1A 2598/4885HCRTR1 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.