SCHEMBL280198

SCHEMBL280198

COc1ccc2c(c1)C1(C)CCC[C@](C)(C(=O)O)[C@@H]1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 6/20 1.00
NR1H2 P55055 6/20 0.72
NR1H3 Q13133 6/20 0.72
CYP2C9 P11712 1/20 0.69
TSHR P16473 1/20 0.69
CYP2C19 P33261 1/20 0.69
CYP3A4 P08684 1/20 0.69
PDE4D Q08499 1/20 0.62
KARS1 Q15046 2/20 0.60
RXRA P19793 1/20 0.60
CCNE1 P24864 1/20 0.60
CDK2 P24941 1/20 0.60
RXRB P28702 1/20 0.60
RXRG P48443 1/20 0.60
POLB P06746 1/20 0.59
APEX1 P27695 1/20 0.59
NR1I2 O75469 1/20 0.55
OPRK1 P41145 1/20 0.55

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
SCHEMBL12872352 1.00 POLA1 (1.00) POLA1NR1H2NR1H3CYP2C9TSHR
SCHEMBL5510769 1.00 POLA1 (1.00) POLA1NR1H2NR1H3CYP2C9TSHR
SCHEMBL12292033 0.89 POLA1 (0.81) POLA1NR1H2NR1H3CYP2C9TSHR
SCHEMBL7767289 0.89 POLA1 (0.81) POLA1NR1H2NR1H3CYP2C9TSHR
SCHEMBL19770990 0.89 POLA1 (0.81) POLA1NR1H2NR1H3CYP2C9TSHR
SCHEMBL24177920 0.89 POLA1 (0.81) POLA1NR1H2NR1H3CYP2C9TSHR
SCHEMBL19786219 0.89 POLA1 (0.81) POLA1NR1H2NR1H3CYP2C9TSHR
SCHEMBL6312574 0.88 NR1H2 (0.82) POLA1NR1H2NR1H3CYP2C9TSHR
SCHEMBL6312566 0.88 NR1H2 (0.82) POLA1NR1H2NR1H3CYP2C9TSHR
SCHEMBL20560979 0.85 POLA1 (0.73) POLA1NR1H2NR1H3CYP2C9TSHR

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 7 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
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-7893299-B2 Acanthoic amide derivatives; inflammation, cancer, cachexia, cardiovascular disease, infections, diabetes, otitis media, sinusitis, transplant rejection NEREUS PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
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
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 (5 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 POLA1 2510/4885NR1H2 399/4885NR1H3 466/4885
US-20120238634-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF POLA1 4404/4885NR1H2 2512/4885NR1H3 3538/4885
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 POLA1 311/4885NR1H2 591/4885NR1H3 1132/4885
US-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF POLA1 4404/4885NR1H2 2512/4885NR1H3 3538/4885
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators IL1A, IL1B, TNF POLA1 4404/4885NR1H2 2512/4885NR1H3 3538/4885

“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.