SCHEMBL267552

SCHEMBL267552

C=C1C[C@@]23CCC4[C@@](C)(CCC[C@@]4(C)C=O)C2CCC1C3

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.65
HSD11B1 P28845 5/20 0.65
HSD11B2 P80365 1/20 0.65
BCHE P06276 2/20 0.41
ACHE P22303 1/20 0.41
F10 P00742 6/20 0.36
PTPN2 P17706 1/20 0.36
CDC25B P30305 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PAX8 Q06710 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL29546419 1.00 PTPN1 (0.65) PTPN1HSD11B1HSD11B2BCHEACHE
SCHEMBL22035367 0.83 HSD11B1 (0.72) PTPN1HSD11B1HSD11B2BCHEACHE
Phyllocladene SCHEMBL29437839 0.83 HSD11B1 (0.72) PTPN1HSD11B1HSD11B2BCHEACHE
Phyllocladene SCHEMBL29388334 0.83 HSD11B1 (0.72) PTPN1HSD11B1HSD11B2BCHEACHE
Phyllocladene SCHEMBL1006868 0.83 HSD11B1 (0.72) PTPN1HSD11B1HSD11B2BCHEACHE
Phyllocladene SCHEMBL156928 0.83 HSD11B1 (0.72) PTPN1HSD11B1HSD11B2BCHEACHE
Phyllocladene SCHEMBL1006869 0.83 HSD11B1 (0.72) PTPN1HSD11B1HSD11B2BCHEACHE
Kaurenoic Acid SCHEMBL266944 0.79 PTPN1 (1.00) PTPN1HSD11B1HSD11B2BCHEACHE
Kaurenoic Acid SCHEMBL18073589 0.79 PTPN1 (1.00) PTPN1HSD11B1HSD11B2BCHEACHE
Kaurenoic Acid SCHEMBL1921625 0.79 PTPN1 (1.00) PTPN1HSD11B1HSD11B2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238634-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS, INC. (US) 2012-09-20 US disclosed
US-8133915-B2 Interleukin-1 and tumor necrosis factor-α modulators; syntheses of such modulators and methods of using such modulators NEREUS PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS, INC. (US) 2011-06-30 US disclosed
US-7893299-B2 Acanthoic amide derivatives; inflammation, cancer, cachexia, cardiovascular disease, infections, diabetes, otitis media, sinusitis, transplant rejection NEREUS PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators HENSLER, MARY 2008-03-13 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 (3 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-20120238634-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF PTPN1 2008/4885HSD11B1 720/4885HSD11B2 1528/4885
US-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF PTPN1 2008/4885HSD11B1 720/4885HSD11B2 1528/4885
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators IL1A, IL1B, TNF PTPN1 2008/4885HSD11B1 720/4885HSD11B2 1528/4885

“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.