SCHEMBL280299

SCHEMBL280299

C=C[C@@]1(C)CCC=C2C1CCC1[C@@]2(C)CCC[C@@]1(C)/C=C/C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 9/20 0.41
▸ NR1H3 Q13133 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ RXRA P19793 3/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 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
SCHEMBL6009592 0.86 NR1H3 (0.38) PTGS1NR1H3PTPN1
SCHEMBL267558 0.83 KARS1 (0.38) PTGS1NR1H3PTPN1
SCHEMBL6009546 0.83 KARS1 (0.38) PTGS1NR1H3PTPN1
SCHEMBL12704621 0.83 NR1H3 (0.58) PTGS1NR1H3PTPN1RXRARXRB
SCHEMBL6008298 0.83 NR1H3 (0.58) PTGS1NR1H3PTPN1RXRARXRB
SCHEMBL266932 0.83 NR1H3 (0.58) PTGS1NR1H3PTPN1RXRARXRB
SCHEMBL14610508 0.83 NR1H3 (0.58) PTGS1NR1H3PTPN1RXRARXRB
SCHEMBL267305 0.83 NR1H3 (0.58) PTGS1NR1H3PTPN1RXRARXRB
SCHEMBL12704708 0.83 NR1H3 (0.58) PTGS1NR1H3PTPN1RXRARXRB
SCHEMBL280314 0.82 PTGS1 (0.44) PTGS1NR1H3PTPN1

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
EP-1912932-B1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-A MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS INC (US) 2012-05-02 — — EP 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

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-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

“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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