SCHEMBL12085000

SCHEMBL12085000

COCCCC1(C(=O)Nc2ccc(OC(C)C)cc2)CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
USP2 O75604 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP1A2 P05177 2/20 0.50
KMT2A Q03164 7/20 0.49
MEN1 O00255 4/20 0.49
PTGDR Q13258 2/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
TRPV4 Q9HBA0 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ELOVL6 Q9H5J4 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.42
ADAM17 P78536 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL16457369 0.86 CYP3A4 (0.49) CYP3A4USP2CYP2D6CYP1A2KMT2A
SCHEMBL8242347 0.81 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPT
SCHEMBL6519623 0.79 CYP2D6 (0.56) CYP3A4USP2CYP2D6CYP1A2KMT2A
SCHEMBL12084986 0.78 KMT2A (0.48) CYP3A4USP2CYP2D6CYP1A2KMT2A
SCHEMBL745232 0.75 ALDH1A1 (0.58) CYP2D6KMT2AMEN1ALDH1A1GAA
SCHEMBL1146990 0.73 KMT2A (0.52) CYP3A4USP2CYP1A2KMT2AMEN1
SCHEMBL12081851 0.73 MAPT (0.76) ALDH1A1SMN1; SMN2ELOVL6GAARAB9A
SCHEMBL1147440 0.72 KMT2A (0.51) CYP3A4USP2CYP1A2KMT2AMEN1
SCHEMBL12081748 0.72 KMT2A (0.51) CYP3A4USP2CYP1A2KMT2AMEN1
SCHEMBL1001589 0.72 KMT2A (0.64) USP2KMT2AMEN1ALDH1A1SMN1; SMN2

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-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL CYP3A4 1982/4885USP2 896/4885CYP2D6 2042/4885

“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.