SCHEMBL3856789

SCHEMBL3856789

COC(=O)c1ccc(CNC(=O)C2CCC(CN(Cc3ccc(-c4ccccc4)cc3)S(=O)(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.57
TAS2R14 Q9NYV8 11/20 0.54
CXCR3 P49682 3/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL3856384 0.95 TAS2R14 (0.56) PTGESTAS2R14CXCR3LMNAMAPK1
SCHEMBL5311979 0.91 PTGES (0.69) PTGESTAS2R14CXCR3LMNAMEN1
SCHEMBL3856963 0.89 TAS2R14 (0.66) PTGESTAS2R14LMNAMAPK1MEN1
SCHEMBL3856007 0.88 MAPK1 (0.52) TAS2R14CXCR3LMNAMAPK1MEN1
SCHEMBL3856062 0.86 TAS2R14 (0.70) PTGESTAS2R14LMNAMAPK1
SCHEMBL3852268 0.86 PTGES (0.61) PTGESTAS2R14CXCR3LMNAMEN1
SCHEMBL3853015 0.84 TAS2R14 (0.72) TAS2R14LMNAMAPK1MEN1KMT2A
SCHEMBL3853063 0.82 TAS2R14 (0.76) TAS2R14LMNAMAPK1
SCHEMBL3860040 0.80 TAS2R14 (0.63) TAS2R14LMNAMAPK1MEN1KMT2A
SCHEMBL5315438 0.80 TAS2R14 (0.56) PTGESTAS2R14LMNAMAPK1MEN1

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 4 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

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 PTGES 1136/4885TAS2R14 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.