SCHEMBL3851328

SCHEMBL3851328

Cc1ccc(CNC(=O)C2CCC(CN(Cc3ccccc3C)S(=O)(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 9/20 0.59
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 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
SCHEMBL13714165 1.00 TAS2R14 (0.59) TAS2R14MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL5315438 0.93 TAS2R14 (0.56) TAS2R14MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL13714179 0.91 TAS2R14 (0.59) TAS2R14MEN1KMT2AALDH1A1CYP3A4
SCHEMBL3853015 0.91 TAS2R14 (0.72) TAS2R14MAPK1MEN1KMT2A
SCHEMBL3856007 0.90 MAPK1 (0.52) TAS2R14MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL3858876 0.89 TAS2R14 (0.55) TAS2R14MEN1KMT2AALDH1A1CYP3A4
SCHEMBL3853063 0.89 TAS2R14 (0.76) TAS2R14MAPK1
SCHEMBL3856963 0.88 TAS2R14 (0.66) TAS2R14MAPK1MEN1KMT2A
SCHEMBL5337346 0.86 TAS2R14 (0.52) TAS2R14MAPK1SMN1; SMN2
SCHEMBL3860040 0.86 TAS2R14 (0.63) TAS2R14MAPK1MEN1KMT2AALDH1A1

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 4736/4885MAPK1 3135/4885SMN1; SMN2 4609/4885

“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.