SCHEMBL3856040

SCHEMBL3856040

COc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCC(C(C(N)=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 12/20 0.60
PTGES O14684 2/20 0.54
CXCR3 P49682 2/20 0.52
LMNA P02545 2/20 0.50
CNR2 P34972 1/20 0.49
TAS2R8 Q9NYW2 1/20 0.49
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL3854325 0.97 TAS2R14 (0.55) TAS2R14PTGESCXCR3LMNACNR2
SCHEMBL3856045 0.91 TAS2R14 (0.61) TAS2R14PTGESCXCR3LMNAMAPK1
SCHEMBL3858811 0.91 TAS2R14 (0.69) TAS2R14PTGESLMNAALDH1A1TP53
SCHEMBL3856034 0.90 TAS2R14 (0.56) TAS2R14LMNAMAPK1ALDH1A1TP53
SCHEMBL3853116 0.90 TAS2R14 (0.62) TAS2R14CXCR3LMNACNR2MAPK1
SCHEMBL3852797 0.88 TAS2R14 (0.60) TAS2R14PTGESLMNACNR2MAPK1
SCHEMBL3850207 0.88 TAS2R14 (0.60) TAS2R14LMNACNR2MAPK1TP53
SCHEMBL3855993 0.88 TAS2R14 (0.59) TAS2R14LMNACNR2MAPK1TP53
SCHEMBL3860197 0.86 TAS2R14 (0.65) TAS2R14CNR2
SCHEMBL3853648 0.85 TAS2R14 (0.57) TAS2R14LMNACNR2MAPK1TP53

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.