SCHEMBL6468248

SCHEMBL6468248

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cn(Cc3ccccc3)cc2-c2cccc(C#N)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.43
NAMPT P43490 2/20 0.43
SCD O00767 1/20 0.42
PRSS1 P07477 4/20 0.40
PRSS2 P07478 4/20 0.40
PRSS3 P35030 4/20 0.40
F2 P00734 2/20 0.40
USP30 Q70CQ3 3/20 0.40
SLC2A1 P11166 1/20 0.40
KCNA5 P22460 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HTT P42858 1/20 0.38
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38

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
SCHEMBL6166616 0.85 F10 (0.52) F10NAMPTPRSS1PRSS2PRSS3
SCHEMBL7108632 0.81 RXFP1 (0.39) F10KCNA5ALOX5APFEN1MMP3
SCHEMBL6171895 0.79 F10 (0.45) F10NAMPTPRSS1PRSS2PRSS3
SCHEMBL6164549 0.78 F10 (0.56) F10NAMPTPRSS1PRSS2PRSS3
SCHEMBL6165511 0.77 F10 (0.46) F10NAMPTPRSS1PRSS2PRSS3
SCHEMBL5669426 0.75 F10 (0.60) F10
SCHEMBL7084412 0.74 F10 (0.45) F10NAMPTUSP30MAPTALOX5AP
SCHEMBL6163324 0.74 USP30 (0.56) F10NAMPTUSP30
SCHEMBL7057459 0.74 RORC (0.44) F10NAMPTUSP30ALOX5APFEN1
SCHEMBL7105798 0.73 POLB (0.37) USP30CYP2C9

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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US claimed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP claimed
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR F10 2290/4885NAMPT 2291/4885SCD 2138/4885

“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.