SCHEMBL280071

SCHEMBL280071

C[C@]1(CO)CCC=C2[C@H]1CCC1[C@](C)(C(=O)O)CCC[C@@]21C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.54
PTPN1 P18031 1/20 0.54
PTGS1 P23219 6/20 0.54
POLA1 P09884 4/20 0.46
KARS1 Q15046 2/20 0.42
RXRA P19793 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL12887757 1.00 NR1H3 (0.54) NR1H3PTPN1PTGS1POLA1KARS1
SCHEMBL280442 0.87 SOD1 (0.47) NR1H3PTPN1PTGS1POLA1CYP2C9
SCHEMBL12704711 0.85 KARS1 (0.42) NR1H3PTPN1PTGS1KARS1CYP2C9
SCHEMBL6009706 0.85 NR1H3 (0.52) NR1H3PTPN1PTGS1POLA1KARS1
SCHEMBL12704655 0.85 NR1H3 (0.52) NR1H3PTPN1PTGS1POLA1KARS1
SCHEMBL14610506 0.81 NR1H3 (0.51) NR1H3PTPN1PTGS1POLA1KARS1
SCHEMBL6008298 0.80 NR1H3 (0.58) NR1H3PTPN1PTGS1POLA1KARS1
SCHEMBL266932 0.80 NR1H3 (0.58) NR1H3PTPN1PTGS1POLA1KARS1
SCHEMBL12704621 0.80 NR1H3 (0.58) NR1H3PTPN1PTGS1POLA1KARS1
SCHEMBL14610508 0.80 NR1H3 (0.58) NR1H3PTPN1PTGS1POLA1KARS1

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
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
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-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF NR1H3 3538/4885PTPN1 2008/4885PTGS1 20/4885
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators IL1A, IL1B, TNF NR1H3 3538/4885PTPN1 2008/4885PTGS1 20/4885

“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.