SCHEMBL267401

SCHEMBL267401

C=C[C@@]1(C)CCC=C2C1CCC1C(C)(C(=O)OC)CCCC21C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.46
NR1H3 Q13133 3/20 0.45
PTPN1 P18031 1/20 0.45
SOD1 P00441 1/20 0.44
POLA1 P09884 2/20 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
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NR1H2 P55055 2/20 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
SCHEMBL12450207 1.00 PTGS1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL12887758 1.00 PTGS1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL6008134 1.00 PTGS1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL267488 1.00 PTGS1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL267773 0.90 POLA1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL267397 0.90 POLA1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL6009627 0.90 POLA1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL14610128 0.90 POLA1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL6008298 0.87 NR1H3 (0.58) PTGS1NR1H3PTPN1POLA1
SCHEMBL266932 0.87 NR1H3 (0.58) PTGS1NR1H3PTPN1POLA1

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 PTGS1 20/4885NR1H3 3538/4885PTPN1 2008/4885
US-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF PTGS1 20/4885NR1H3 3538/4885PTPN1 2008/4885
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators IL1A, IL1B, TNF PTGS1 20/4885NR1H3 3538/4885PTPN1 2008/4885

“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.