SCHEMBL3856045

SCHEMBL3856045

COc1cccc(S(=O)(=O)N(Cc2ccccc2)CC2CCC(C(C(N)=O)c3ccc(C)cc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 13/20 0.61
TP53 P04637 1/20 0.46
KCNA5 P22460 1/20 0.44
LMNA P02545 1/20 0.44
PTGES O14684 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM5 P08912 1/20 0.43
MAPK1 P28482 1/20 0.42
CXCR3 P49682 1/20 0.42

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
SCHEMBL3858811 0.95 TAS2R14 (0.69) TAS2R14TP53LMNAPTGESALDH1A1
SCHEMBL3854325 0.91 TAS2R14 (0.55) TAS2R14LMNAPTGESCXCR3
SCHEMBL3856040 0.91 TAS2R14 (0.60) TAS2R14TP53LMNAPTGESALDH1A1
SCHEMBL3856034 0.89 TAS2R14 (0.56) TAS2R14TP53LMNAALDH1A1MAPK1
SCHEMBL3860084 0.88 TAS2R14 (0.55) TAS2R14TP53KCNA5LMNAMAPK1
SCHEMBL3849137 0.88 TAS2R14 (0.55) TAS2R14TP53KCNA5LMNAMAPK1
SCHEMBL3855993 0.87 TAS2R14 (0.59) TAS2R14TP53LMNAMAPK1
SCHEMBL3853648 0.85 TAS2R14 (0.57) TAS2R14TP53LMNAMAPK1
SCHEMBL3852854 0.85 TAS2R14 (0.57) TAS2R14TP53LMNAMAPK1
SCHEMBL3850260 0.85 TAS2R14 (0.57) TAS2R14TP53LMNAMAPK1

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 4736/4885TP53 4391/4885KCNA5 2414/4885

“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.