SCHEMBL280378

SCHEMBL280378

CCC(C)(C)CC(=O)OC[C@]1(C)CCC[C@@]2(C)C3=CCC[C@](C)(I)C3CCC12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 2/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ PTGS1 P23219 4/20 0.32

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
SCHEMBL12522439 0.88 NR1H3 (0.35) NR1H3NR1H2PTGS1
SCHEMBL12522085 0.81 PTGS1 (0.44) NR1H3NR1H2PTGS1
SCHEMBL267186 0.78 PTGS1 (0.41) NR1H3NR1H2PTGS1
SCHEMBL280372 0.76 PTGS1 (0.32) NR1H3NR1H2PTGS1
SCHEMBL12522495 0.75 NR1H3 (0.49) NR1H3PTGS1
SCHEMBL12704689 0.75 PTGS1 (0.40) NR1H3NR1H2PTGS1
SCHEMBL267185 0.75 PTGS1 (0.40) NR1H3NR1H2PTGS1
SCHEMBL14610864 0.73 PTGS1 (0.36) NR1H3NR1H2PTGS1
SCHEMBL12522005 0.72 PTGS1 (0.48) NR1H3NR1H2PTGS1
SCHEMBL6009746 0.72 PTGS1 (0.43) NR1H3NR1H2PTGS1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3538/4885NR1H2 2512/4885PTGS1 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.

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