SCHEMBL280351

SCHEMBL280351

COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCCC2(O)/C=C/Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.37
POLA1 P09884 3/20 0.37
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
F10 P00742 1/20 0.33
GGPS1 O95749 1/20 0.33
FDPS P14324 1/20 0.33
POLB P06746 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
SCHEMBL6009321 1.00 SOD1 (0.37) SOD1POLA1CYP3A4MAPTMEN1
SCHEMBL12704634 1.00 SOD1 (0.37) SOD1POLA1CYP3A4MAPTMEN1
SCHEMBL267274 0.82 TRPA1 (0.33)
SCHEMBL14086962 0.76 MEN1 (0.39) SOD1POLA1CYP3A4MAPTMEN1
SCHEMBL280131 0.75 HSP90AA1 (0.41) SOD1POLA1CYP3A4MAPTMEN1
SCHEMBL12522489 0.75 HSP90AA1 (0.41) SOD1POLA1CYP3A4MAPTMEN1
SCHEMBL6009568 0.75 HSP90AA1 (0.41) SOD1POLA1CYP3A4MAPTMEN1
SCHEMBL279982 0.73 SOD1 (0.43) SOD1POLA1CYP3A4MAPTMEN1
SCHEMBL280353 0.73 SOD1 (0.43) SOD1POLA1CYP3A4MAPTMEN1
SCHEMBL14401278 0.67 MEN1 (0.43) SOD1POLA1CYP3A4MAPTMEN1

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 8 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-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-20080188475-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators NEREUS PHAMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080103328-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators NEREUS PHARMACEUTICALS, INC. (US) 2008-05-01 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
US-7342125-B2 Method of treating inflammation with acanthoic acid derivatives NEREUS PHARMACEUTICALS, INC. (US) 2008-03-11 US disclosed
US-7288671-B2 Interleukin-1 and tumor necrosis factor-α modulators, synthesis of said modulators and their enantiomers and methods of using said modulators NEREUS PHARMACEUTICALS, INC. (US) 2007-10-30 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 (4 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-20080103328-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators TNF, TNFRSF1A, IL1R1 SOD1 2575/4885POLA1 2510/4885CYP3A4 2271/4885
US-20120238634-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF SOD1 4117/4885POLA1 4404/4885CYP3A4 2799/4885
US-20080188475-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators IL1A, IL1B, TNF SOD1 3023/4885POLA1 311/4885CYP3A4 1400/4885
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators IL1A, IL1B, TNF SOD1 4117/4885POLA1 4404/4885CYP3A4 2799/4885

“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.