SCHEMBL3852957

SCHEMBL3852957

Cc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
NPY1R P25929 2/20 0.59
NPY5R Q15761 2/20 0.59
ALDH1A1 P00352 6/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 1/20 0.55
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL13714075 1.00 MEN1 (0.63) MEN1KMT2ANPY1RNPY5RALDH1A1
SCHEMBL3851560 0.83 MEN1 (0.80) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3851498 0.81 KMT2A (0.86) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL13714236 0.80 NPY1R (0.62) MEN1KMT2ANPY1RNPY5RALDH1A1
SCHEMBL3852966 0.80 NPY1R (0.62) MEN1KMT2ANPY1RNPY5RALDH1A1
SCHEMBL3852132 0.80 TAS2R14 (0.55) MEN1KMT2AALDH1A1GAA
SCHEMBL5315881 0.79 NPY1R (0.61) NPY1RNPY5R
SCHEMBL3857483 0.76 MEN1 (0.60) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL13714183 0.76 MEN1 (0.60) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3852105 0.75 KMT2A (0.74) MEN1KMT2AALDH1A1PKMMAPT

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 MEN1 4424/4885KMT2A 4193/4885NPY1R 4624/4885

“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.