SCHEMBL3856037

SCHEMBL3856037

COc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCC(N(C=O)Cc3ccc(C)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 10/20 0.59
PTGES O14684 2/20 0.55
CXCR3 P49682 2/20 0.53
CNR2 P34972 5/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TAS2R8 Q9NYW2 1/20 0.50
CNR1 P21554 2/20 0.49
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL3854324 0.97 TAS2R14 (0.55) TAS2R14PTGESCXCR3CNR2LMNA
SCHEMBL3858809 0.91 TAS2R14 (0.67) TAS2R14PTGESCXCR3ALDH1A1
SCHEMBL3856044 0.90 TAS2R14 (0.60) TAS2R14PTGESCXCR3LMNAALDH1A1
SCHEMBL3853114 0.89 TAS2R14 (0.61) TAS2R14CXCR3CNR2LMNACNR1
SCHEMBL3856031 0.88 TAS2R14 (0.54) TAS2R14PTGESCNR2LMNACNR1
SCHEMBL3850204 0.87 CNR2 (0.64) TAS2R14CNR2LMNACNR1
SCHEMBL3852794 0.87 TAS2R14 (0.59) TAS2R14CNR2LMNACNR1
SCHEMBL3855992 0.87 TAS2R14 (0.58) TAS2R14CNR2LMNACNR1
SCHEMBL3860195 0.86 TAS2R14 (0.64) TAS2R14CNR2LMNACNR1
SCHEMBL3856504 0.85 TAS2R14 (0.51) TAS2R14PTGESCNR2LMNAALDH1A1

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 4736/4885PTGES 1136/4885CXCR3 1210/4885

“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.