SCHEMBL3856044

SCHEMBL3856044

COc1cccc(S(=O)(=O)N(Cc2ccccc2)CC2CCC(N(C=O)Cc3ccc(C)cc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 14/20 0.60
KCNA5 P22460 1/20 0.49
ALDH1A1 P00352 1/20 0.46
PTGES O14684 1/20 0.44
TP53 P04637 1/20 0.44
PGR P06401 1/20 0.44
CXCR3 P49682 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL3858809 0.96 TAS2R14 (0.67) TAS2R14KCNA5ALDH1A1PTGESTP53
SCHEMBL3854324 0.91 TAS2R14 (0.55) TAS2R14ALDH1A1PTGESCXCR3LMNA
SCHEMBL3856037 0.90 TAS2R14 (0.59) TAS2R14ALDH1A1PTGESCXCR3LMNA
SCHEMBL3856031 0.88 TAS2R14 (0.54) TAS2R14PTGESTP53LMNA
SCHEMBL3849136 0.88 TAS2R14 (0.53) TAS2R14KCNA5TP53LMNA
SCHEMBL3860083 0.88 TAS2R14 (0.53) TAS2R14KCNA5TP53CXCR3LMNA
SCHEMBL3855992 0.86 TAS2R14 (0.58) TAS2R14TP53LMNA
SCHEMBL3851737 0.85 TAS2R14 (0.55) TAS2R14KCNA5TP53LMNA
SCHEMBL3853644 0.84 TAS2R14 (0.56) TAS2R14TP53LMNA
SCHEMBL3852851 0.84 TAS2R14 (0.56) TAS2R14TP53LMNA

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 4736/4885KCNA5 2414/4885ALDH1A1 1804/4885

“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.