SCHEMBL3615745

SCHEMBL3615745

CC(C)c1ccc(Cn2cc(NC(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.51
SCD5 Q86SK9 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
NAMPT P43490 7/20 0.48
ESR2 Q92731 1/20 0.48
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
PLA2G1B P04054 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.42
NR3C1 P04150 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
SCHEMBL3599020 0.93 SMN1; SMN2 (0.57) SCDSCD5SMN1; SMN2NAMPTESR2
SCHEMBL3603596 0.91 SCD (0.53) SCDSCD5SMN1; SMN2NAMPTESR2
SCHEMBL3596504 0.91 SMN1; SMN2 (0.57) SCDSCD5SMN1; SMN2NAMPTESR2
SCHEMBL3598199 0.90 NAMPT (0.56) SCDSCD5SMN1; SMN2NAMPTESR2
SCHEMBL3600477 0.89 NAMPT (0.51) SCDSCD5SMN1; SMN2NAMPTESR2
SCHEMBL14155550 0.88 NAMPT (0.54) SCDSCD5SMN1; SMN2NAMPTCYP1A2
SCHEMBL3605404 0.88 NAMPT (0.63) SCDSCD5SMN1; SMN2NAMPTESR2
SCHEMBL3601224 0.86 SCD5 (0.51) SCDSCD5SMN1; SMN2NAMPTESR2
SCHEMBL3615748 0.86 SCD (0.53) SCDSCD5SMN1; SMN2NAMPTESR2
SCHEMBL3605783 0.85 NAMPT (0.56) SCDSCD5NAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 SCD 2/4885SCD5 4/4885SMN1; SMN2 618/4885

“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.