SCHEMBL266932

SCHEMBL266932

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.58
PTPN1 P18031 1/20 0.58
PTGS1 P23219 7/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLA1 P09884 4/20 0.42
PDE4D Q08499 1/20 0.41
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
KARS1 Q15046 1/20 0.39

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
SCHEMBL6008298 1.00 NR1H3 (0.58) NR1H3PTPN1PTGS1RXRARXRB
SCHEMBL14610508 1.00 NR1H3 (0.58) NR1H3PTPN1PTGS1RXRARXRB
SCHEMBL12704708 1.00 NR1H3 (0.58) NR1H3PTPN1PTGS1RXRARXRB
SCHEMBL12704621 1.00 NR1H3 (0.58) NR1H3PTPN1PTGS1RXRARXRB
SCHEMBL267305 1.00 NR1H3 (0.58) NR1H3PTPN1PTGS1RXRARXRB
SCHEMBL12450204 0.89 NR1H3 (0.47) NR1H3PTPN1PTGS1RXRARXRB
SCHEMBL267557 0.89 NR1H3 (0.47) NR1H3PTPN1PTGS1RXRARXRB
SCHEMBL6008134 0.87 PTGS1 (0.46) NR1H3PTPN1PTGS1POLA1
SCHEMBL12450207 0.87 PTGS1 (0.46) NR1H3PTPN1PTGS1POLA1
SCHEMBL12887758 0.87 PTGS1 (0.46) NR1H3PTPN1PTGS1POLA1

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

“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.