SCHEMBL14112006

SCHEMBL14112006

C=C[C@@]1(C)CCC=C2C1CCC1[C@](C)(COC(C)=O)CCC[C@@]21C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 8/20 0.43
▸ NR1H3 Q13133 3/20 0.41
▸ PTPN1 P18031 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ PAX8 Q06710 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ CYP19A1 P11511 1/20 0.34

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
SCHEMBL14286748 0.91 PTGS1 (0.43) PTGS1NR1H3PTPN1NR1H2
SCHEMBL6009746 0.91 PTGS1 (0.43) PTGS1NR1H3PTPN1NR1H2
SCHEMBL14286757 0.89 PTGS1 (0.41) PTGS1NR1H3PTPN1NR1H2CYP19A1
SCHEMBL12704714 0.87 PTGS1 (0.47) PTGS1NR1H3PTPN1NR1H2
SCHEMBL14286758 0.87 PTGS1 (0.47) PTGS1NR1H3PTPN1NR1H2
SCHEMBL280447 0.87 PTGS1 (0.41) PTGS1NR1H3PTPN1NR1H2
SCHEMBL12704713 0.87 PTGS1 (0.41) PTGS1NR1H3PTPN1NR1H2
SCHEMBL12887597 0.86 PTGS1 (0.41) PTGS1NR1H3PTPN1NR1H2
SCHEMBL280314 0.85 PTGS1 (0.44) PTGS1NR1H3PTPN1NR1H2
SCHEMBL267185 0.85 PTGS1 (0.40) PTGS1NR1H3PTPN1NR1H2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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 PTGS1 93/4885NR1H3 466/4885PTPN1 3239/4885
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 PTGS1 11/4885NR1H3 1132/4885PTPN1 2311/4885
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.

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