SCHEMBL12450189

SCHEMBL12450189

C=C[C@@]1(C)CC=C2C(CCC3[C@](C)(COS(=O)(=O)c4ccc(OC)cc4)CCC[C@@]23C)C1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 2/20 0.59
▸ PTGS1 P23219 11/20 0.57
▸ PTPN1 P18031 1/20 0.53
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL267461 1.00 NR1H3 (0.59) NR1H3PTGS1PTPN1CYP2C9TSHR
SCHEMBL262212 0.92 NR1H3 (0.56) NR1H3PTGS1PTPN1CYP2C9TSHR
SCHEMBL12450188 0.91 NR1H3 (0.60) NR1H3PTGS1PTPN1
SCHEMBL261279 0.91 NR1H3 (0.60) NR1H3PTGS1PTPN1
SCHEMBL266880 0.91 NR1H3 (0.60) NR1H3PTGS1PTPN1
SCHEMBL261044 0.90 PTGS1 (0.62) NR1H3PTGS1PTPN1
SCHEMBL12450192 0.90 PTGS1 (0.62) NR1H3PTGS1PTPN1
SCHEMBL267410 0.90 PTGS1 (0.62) NR1H3PTGS1PTPN1
SCHEMBL262211 0.88 PTGS1 (0.62) NR1H3PTGS1PTPN1CYP2C19
SCHEMBL12450191 0.88 PTGS1 (0.62) NR1H3PTGS1PTPN1CYP2C19

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 1 patent. 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

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 3538/4885PTGS1 20/4885PTPN1 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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