SCHEMBL3859980

SCHEMBL3859980

Cc1ccc(CNC(=O)C2CCC(CN(Cc3ccccn3)S(=O)(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TAS2R14 Q9NYV8 7/20 0.56
CXCR3 P49682 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL3853015 0.88 TAS2R14 (0.72) TAS2R14KMT2AMEN1GAA
SCHEMBL3860040 0.88 TAS2R14 (0.63) ALDH1A1TAS2R14KMT2AMEN1PKM
SCHEMBL3853063 0.86 TAS2R14 (0.76) TAS2R14
SCHEMBL3856963 0.85 TAS2R14 (0.66) TAS2R14KMT2AMEN1
SCHEMBL3851892 0.85 TAS2R14 (0.60) ALDH1A1TAS2R14CXCR3KMT2APKM
SCHEMBL3851328 0.85 TAS2R14 (0.59) ALDH1A1TAS2R14KMT2AMEN1SMN1; SMN2
SCHEMBL13714165 0.85 TAS2R14 (0.59) ALDH1A1TAS2R14KMT2AMEN1SMN1; SMN2
SCHEMBL13714179 0.85 TAS2R14 (0.59) ALDH1A1TAS2R14KMT2AMEN1
SCHEMBL3860348 0.84 TAS2R14 (0.63) TAS2R14KMT2AMEN1
SCHEMBL3856062 0.83 TAS2R14 (0.70) TAS2R14

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 2 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 disclosed
US-20070203245-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-30 US 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 ALDH1A1 1804/4885TAS2R14 4736/4885CXCR3 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.