SCHEMBL3858809

SCHEMBL3858809

COc1cccc(CN(CC2CCC(N(C=O)Cc3ccc(C)cc3)CC2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 13/20 0.67
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
PTGES O14684 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
KCNA5 P22460 1/20 0.44
CXCR3 P49682 1/20 0.44

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
SCHEMBL3856044 0.96 TAS2R14 (0.60) TAS2R14ALDH1A1TP53PTGESKCNA5
SCHEMBL3854324 0.92 TAS2R14 (0.55) TAS2R14ALDH1A1PTGESCXCR3
SCHEMBL3856037 0.91 TAS2R14 (0.59) TAS2R14ALDH1A1PTGESCXCR3
SCHEMBL3851737 0.88 TAS2R14 (0.55) TAS2R14TP53KCNA5
SCHEMBL3855992 0.85 TAS2R14 (0.58) TAS2R14TP53POLB
SCHEMBL3856031 0.85 TAS2R14 (0.54) TAS2R14TP53PTGES
SCHEMBL3857532 0.85 TAS2R14 (0.53) TAS2R14TP53PTGESKCNA5
SCHEMBL3849136 0.85 TAS2R14 (0.53) TAS2R14TP53KCNA5
SCHEMBL3860083 0.85 TAS2R14 (0.53) TAS2R14TP53POLBKCNA5CXCR3
SCHEMBL3860195 0.85 TAS2R14 (0.64) TAS2R14KCNA5

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 4736/4885ALDH1A1 1804/4885TP53 4391/4885

“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.