SCHEMBL3856034

SCHEMBL3856034

COc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCC(C(C(N)=O)c3ccc(C)cc3)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 9/20 0.56
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL3856040 0.90 TAS2R14 (0.60) TAS2R14LMNAALDH1A1TP53MAPK1
SCHEMBL3856045 0.89 TAS2R14 (0.61) TAS2R14LMNAALDH1A1TP53MAPK1
SCHEMBL3855993 0.88 TAS2R14 (0.59) TAS2R14LMNATP53THRBMAPK1
SCHEMBL3852854 0.87 TAS2R14 (0.57) TAS2R14LMNATP53MAPTMAPK1
SCHEMBL3850260 0.87 TAS2R14 (0.57) TAS2R14LMNATP53THRBMAPK1
SCHEMBL3853648 0.87 TAS2R14 (0.57) TAS2R14LMNATP53THRBMAPK1
SCHEMBL3851679 0.87 TAS2R14 (0.56) TAS2R14LMNATP53MAPK1
SCHEMBL3854325 0.86 TAS2R14 (0.55) TAS2R14LMNA
SCHEMBL3853116 0.86 TAS2R14 (0.62) TAS2R14LMNATP53THRBMAPK1
SCHEMBL3858811 0.86 TAS2R14 (0.69) TAS2R14LMNAALDH1A1TP53

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-7579504-B2 ABCA1 elevating compounds GILEAD SCIENCES, INC. (US) 2009-08-25 US claimed
US-20070203245-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-30 US claimed
US-7579504-B2 ABCA1 elevating compounds GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-20070203245-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-30 US disclosed
WO-2007067817-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-06-14 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 (1 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-20070203245-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TAS2R14 4736/4885PDE4A 295/4885PDE4B 279/4885

“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.