SCHEMBL12522092

SCHEMBL12522092

CC[C@@]1(C)CC=C2C(CCC3[C@](C)(COC(=O)CN4CCN(S(C)(=O)=O)CC4)CCC[C@@]23C)C1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 11/20 0.43
▸ NR1H3 Q13133 2/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL1195192 0.89 PTGS1 (0.56) PTGS1NR1H3PTPN1
SCHEMBL267405 0.89 PTGS1 (0.56) PTGS1NR1H3PTPN1
SCHEMBL1195191 0.89 PTGS1 (0.56) PTGS1NR1H3PTPN1
SCHEMBL12522458 0.88 KMT2A (0.40) PTGS1
SCHEMBL12522089 0.88 ALDH1A1 (0.43) PTGS1
SCHEMBL12704639 0.87 PTGS1 (0.45) PTGS1NR1H3PTPN1
SCHEMBL6007560 0.79 PTGS1 (0.49) PTGS1NR1H3PTPN1
SCHEMBL267408 0.78 PTGS1 (0.51) PTGS1NR1H3PTPN1
SCHEMBL10224049 0.78 PTGS1 (0.48) PTGS1NR1H3PTPN1
SCHEMBL267588 0.77 PTGS1 (0.50) 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 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
EP-2311795-A2 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators Nereus Pharmaceuticals, Inc. (US) 2011-04-20 — — EP 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 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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