SCHEMBL280442

SCHEMBL280442

COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CCC[C@](C)(CO)[C@@H]3CC[C@H]12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.47
PTGS1 P23219 6/20 0.44
CYP3A4 P08684 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLA1 P09884 2/20 0.44
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H3 Q13133 3/20 0.41
NR1H2 P55055 1/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL280071 0.87 NR1H3 (0.54) PTGS1CYP3A4POLA1CYP2C9TSHR
SCHEMBL12887757 0.87 NR1H3 (0.54) PTGS1CYP3A4POLA1CYP2C9TSHR
SCHEMBL280188 0.84 SOD1 (0.47) SOD1PTGS1CYP3A4MAPTMEN1
SCHEMBL10225176 0.84 SOD1 (0.47) SOD1PTGS1CYP3A4MAPTMEN1
SCHEMBL280154 0.84 SOD1 (0.47) SOD1PTGS1CYP3A4MAPTMEN1
SCHEMBL6009627 0.82 POLA1 (0.46) SOD1PTGS1CYP3A4MAPTMEN1
SCHEMBL14610128 0.82 POLA1 (0.46) SOD1PTGS1CYP3A4MAPTMEN1
SCHEMBL267397 0.82 POLA1 (0.46) SOD1PTGS1CYP3A4MAPTMEN1
SCHEMBL267773 0.82 POLA1 (0.46) SOD1PTGS1CYP3A4MAPTMEN1
SCHEMBL12450207 0.81 PTGS1 (0.46) SOD1PTGS1CYP3A4MAPTMEN1

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-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
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-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 (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-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF SOD1 4117/4885PTGS1 20/4885CYP3A4 2799/4885
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 4117/4885PTGS1 20/4885CYP3A4 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.