SCHEMBL280372

SCHEMBL280372

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 5/20 0.32
▸ NR1H3 Q13133 2/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL267197 0.83 NR1H3 (0.39) PTGS1NR1H3NR1H2
SCHEMBL12522495 0.80 NR1H3 (0.49) PTGS1NR1H3CYP2C9TSHRCYP2C19
SCHEMBL280157 0.78 NR1H3 (0.46) PTGS1NR1H3NR1H2
SCHEMBL280378 0.76 NR1H3 (0.35) PTGS1NR1H3NR1H2
SCHEMBL12522439 0.75 NR1H3 (0.35) PTGS1NR1H3NR1H2
SCHEMBL280289 0.74 KARS1 (0.39) PTGS1NR1H3CYP3A4
SCHEMBL10225176 0.73 SOD1 (0.47) PTGS1NR1H3NR1H2CYP3A4
SCHEMBL280188 0.73 SOD1 (0.47) PTGS1NR1H3NR1H2CYP3A4
SCHEMBL280154 0.73 SOD1 (0.47) PTGS1NR1H3NR1H2CYP3A4
SCHEMBL10224049 0.73 PTGS1 (0.48) PTGS1NR1H3NR1H2

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-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-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 (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-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 3538/4885NR1H2 2512/4885
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 3538/4885NR1H2 2512/4885

“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.

Send feedback