SCHEMBL279982

SCHEMBL279982

COC(=O)[C@]1(C)CCC[C@@]2(C)C(/C=C/Sc3ccccc3)=CCCC12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.43
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLA1 P09884 4/20 0.40
NR1H3 Q13133 8/20 0.38
NR1H2 P55055 7/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL280353 1.00 SOD1 (0.43) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL12704608 0.90 NR1H3 (0.42) POLA1NR1H3NR1H2
SCHEMBL267276 0.82 CETP (0.33) CYP3A4MAPTMEN1USP2TP53
SCHEMBL12887435 0.78 SOD1 (0.48) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL280399 0.78 SOD1 (0.48) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL14086962 0.73 MEN1 (0.39) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL12704634 0.73 SOD1 (0.37) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL6009321 0.73 SOD1 (0.37) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL280351 0.73 SOD1 (0.37) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL15339315 0.67 SOD1 (0.73) SOD1CYP3A4MAPTMEN1USP2

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-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
EP-2311795-A2 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators Nereus Pharmaceuticals, Inc. (US) 2011-04-20 EP 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

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-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 2575/4885CYP3A4 2271/4885MAPT 4669/4885
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 4117/4885CYP3A4 2799/4885MAPT 4689/4885

“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.