SCHEMBL4903550

SCHEMBL4903550

CC(C)(C)OC(=O)N(Cc1ccccc1)C1CC=C(OS(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
CETP P11597 1/20 0.38
DRD2 P14416 1/20 0.37
HTR1D P28221 1/20 0.37
DRD3 P35462 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM1A O60341 1/20 0.35
CCR5 P51681 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL30659364 0.82 DRD2 (0.35) HSD11B1DRD2HTR1DDRD3JAK2
SCHEMBL10043014 0.79 DRD2 (0.51) HSD11B1DRD2HTR1DDRD3
SCHEMBL10043006 0.79 DRD2 (0.51) HSD11B1DRD2HTR1DDRD3
SCHEMBL4798450 0.78 HSD11B1 (0.44) HSD11B1CETPDRD2DRD3JAK2
SCHEMBL4798444 0.78 HSD11B1 (0.44) HSD11B1CETPDRD2DRD3JAK2
SCHEMBL5142024 0.77 DRD2 (0.43) HSD11B1CETPDRD2HTR1DDRD3
SCHEMBL1964546 0.76 HSD11B1 (0.53) HSD11B1CETPJAK2JAK1HDAC3
SCHEMBL10207431 0.76 HSD11B1 (0.56) HSD11B1JAK2JAK1HDAC3HDAC1
SCHEMBL31644520 0.76 HSD11B1 (0.50) HSD11B1CETPJAK2JAK1HDAC3
SCHEMBL25185332 0.76 POLB (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 HSD11B1 4179/4885CETP 1516/4885DRD2 4882/4885

“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.