SCHEMBL14112005

SCHEMBL14112005

C=C[C@@]1(C)CCC=C2C1CCC1[C@](C)(CCC(=O)CCCC(=O)O)CCC[C@@]21C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 11/20 0.56
▸ NR1H3 Q13133 2/20 0.39
▸ PTPN1 P18031 1/20 0.39

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
SCHEMBL12704628 0.93 PTGS1 (0.62) PTGS1NR1H3PTPN1
SCHEMBL14112380 0.84 PTGS1 (0.61) PTGS1NR1H3PTPN1
SCHEMBL267926 0.80 NR1H3 (0.58) PTGS1NR1H3PTPN1
SCHEMBL14286750 0.80 NR1H3 (0.58) PTGS1NR1H3PTPN1
SCHEMBL6008298 0.78 NR1H3 (0.58) PTGS1NR1H3PTPN1
SCHEMBL14112006 0.78 PTGS1 (0.43) PTGS1NR1H3PTPN1
SCHEMBL14286749 0.78 NR1H3 (0.44) PTGS1NR1H3PTPN1
SCHEMBL280314 0.77 PTGS1 (0.44) PTGS1NR1H3PTPN1
SCHEMBL14112377 0.77 PTGS1 (0.40) PTGS1NR1H3PTPN1
SCHEMBL280076 0.76 PTGS1 (0.40) 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-20080188475-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators NEREUS PHAMACEUTICALS, INC. (US) 2008-08-07 — — US disclosed
US-20080103328-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators NEREUS PHARMACEUTICALS, INC. (US) 2008-05-01 — — 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-20080103328-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators TNF, TNFRSF1A, IL1R1 PTGS1 93/4885NR1H3 466/4885PTPN1 3239/4885
US-20080188475-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators IL1A, IL1B, TNF PTGS1 11/4885NR1H3 1132/4885PTPN1 2311/4885

“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