SCHEMBL799412

SCHEMBL799412

CN1CCN(S(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL12225738 0.92 APOBEC3A (0.45) POLBESR1ESR2KMT2AMEN1
SCHEMBL7799885 0.87 ESR1 (0.39) POLBESR1ESR2KMT2AMEN1
SCHEMBL8199666 0.80 TSHR (0.46) POLBESR1ESR2L3MBTL1KMT2A
SCHEMBL16787976 0.79 POLB (0.35) POLBL3MBTL1KMT2AMEN1NPSR1
SCHEMBL12251551 0.78 L3MBTL1 (0.42) POLBL3MBTL1KMT2AMEN1NPSR1
SCHEMBL1388961 0.77 CA1 (0.43) POLBESR1ESR2L3MBTL1KMT2A
SCHEMBL3119668 0.77 TSHR (0.42) POLBESR1ESR2L3MBTL1KMT2A
SCHEMBL22091484 0.77 CA2 (0.36) POLBL3MBTL1KMT2AMEN1NPSR1
SCHEMBL16360832 0.77 L3MBTL1 (0.36) POLBL3MBTL1KMT2AMEN1NPSR1
SCHEMBL16065530 0.77 POLB (0.32) POLBL3MBTL1KMT2AMEN1NPSR1

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-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 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 (2 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R POLB 3362/4885ESR1 3076/4885ESR2 3008/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 POLB 1972/4885ESR1 2670/4885ESR2 2649/4885

“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.