SCHEMBL4811158

SCHEMBL4811158

COc1cccc2c1[C@H]1Nc3ccc(S(=O)(=O)c4ccc(F)cc4)cc3C(C)(C)[C@H]1CO2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.34
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
IDH1 O75874 1/20 0.31
NR3C1 P04150 2/20 0.31
GLRA3 O75311 3/20 0.31
GLRB P48167 3/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL4629092 0.89 HSD11B1 (0.35)
SCHEMBL4563791 0.89 HSD11B1 (0.35)
SCHEMBL4855306 0.88 NR3C1 (0.35) HTR2CHTR2BNR3C1PGR
SCHEMBL4555633 0.86 PGR (0.38) HTR2CNR3C1PGR
SCHEMBL4818005 0.83 FFAR1 (0.39) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL4848567 0.83 PTGS2 (0.37)
SCHEMBL4564249 0.81 NR3C1 (0.31) NR3C1PGR
SCHEMBL4866562 0.81 HSP90AA1 (0.34) NR3C1PGRMEN1KMT2APOLB
SCHEMBL4566271 0.81 NR3C1 (0.40) NR3C1PGRNR3C2
SCHEMBL4566100 0.81 KMT2A (0.36) PGRALDH1A1MEN1KMT2AGAA

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-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
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 HTR6 2223/4885HTR2C 3634/4885HTR2B 3502/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HTR6 2223/4885HTR2C 3634/4885HTR2B 3502/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HTR6 2223/4885HTR2C 3634/4885HTR2B 3502/4885

“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.