SCHEMBL781130

SCHEMBL781130

CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2)c(Cc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.78
NR1H2 P55055 19/20 0.78
NR1H3 Q13133 19/20 0.78
NR1I2 O75469 2/20 0.61
PTGS2 P35354 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
SCHEMBL16407959 0.94 RXRA (0.69) RXRANR1H2NR1H3NR1I2PTGS2
SCHEMBL778357 0.91 NR1H2 (0.65) RXRANR1H2NR1H3NR1I2
SCHEMBL16559494 0.91 NR1H2 (0.66) RXRANR1H2NR1H3NR1I2
SCHEMBL781798 0.89 NR1H2 (0.78) RXRANR1H2NR1H3NR1I2
SCHEMBL779755 0.88 RXRA (1.00) RXRANR1H2NR1H3NR1I2
SCHEMBL18381139 0.87 NR1H2 (0.59) RXRANR1H2NR1H3NR1I2PTGS2
SCHEMBL16407951 0.85 NR1H2 (0.58) RXRANR1H2NR1H3NR1I2
SCHEMBL780006 0.85 RXRA (0.75) RXRANR1H2NR1H3NR1I2PTGS2
SCHEMBL779309 0.85 NR1H2 (0.65) RXRANR1H2NR1H3NR1I2
SCHEMBL16557140 0.85 NR1H2 (0.58) RXRANR1H2NR1H3NR1I2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435410-B1 LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2017-01-18 EP claimed
US-8618154-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US claimed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US claimed
US-20240293401-A1 COMBINATION THERAPY WITH AN LXR AGONIST AND AN INHIBITOR COMPOUND Asteroid Therapeutics (US) 2024-09-05 US disclosed
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2023-10-26 US disclosed
EP-4218935-A1 LXRBETA AGONIST FOR THE TREATMENT OF CANCER The Rockefeller University (US) 2023-08-02 EP disclosed
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20210220306-A1 TREATMENT AND DIAGNOSIS OF MELANOMA THE ROCKEFELLER UNIVERSITY 2021-07-22 US disclosed
US-10945978-B2 Treatment and diagnosis of melanoma THE ROCKEFELLER UNIVERSITY (US) 2021-03-16 US disclosed
US-20200230090-A1 TREATMENT AND DIAGNOSIS OF MELANOMA THE ROCKEFELLER UNIVERSITY (US) 2020-07-23 US disclosed
EP-3626309-A1 LXRBETA AGONIST FOR THE TREATMENT OF CANCER The Rockefeller University (US) 2020-03-25 EP disclosed
US-20140163081-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-06-12 US disclosed
US-20140163081-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-06-12 US disclosed
US-20140163081-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-06-12 US disclosed
WO-2014028461-A2 TREATMENT AND DIAGNOSIS OF MELANOMA THE ROCKEFELLER UNIVERSITY (US) 2014-02-20 WO disclosed
US-8618154-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
WO-2010138598-A2 LXR MODULATORS EXELIXIS, INC. (US) 2010-12-02 WO 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 (8 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-20140163081-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 RXRA 10/4885NR1H2 2/4885NR1H3 1/4885
US-10945978-B2 Treatment and diagnosis of melanoma EYA3, BRAF, CD99 RXRA 2268/4885NR1H2 4537/4885NR1H3 4400/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 RXRA 20/4885NR1H2 2/4885NR1H3 1/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 RXRA 20/4885NR1H2 2/4885NR1H3 1/4885
US-20210220306-A1 TREATMENT AND DIAGNOSIS OF MELANOMA EYA3, BRAF, CD99 RXRA 2268/4885NR1H2 4537/4885NR1H3 4400/4885
US-20120071534-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 RXRA 10/4885NR1H2 2/4885NR1H3 1/4885
US-20200230090-A1 TREATMENT AND DIAGNOSIS OF MELANOMA EYA3, BRAF, CD99 RXRA 2268/4885NR1H2 4537/4885NR1H3 4400/4885
US-20240293401-A1 COMBINATION THERAPY WITH AN LXR AGONIST AND AN INHIBITOR COMPOUND NR1H2, NR1H3, NR1H4 RXRA 5/4885NR1H2 1/4885NR1H3 2/4885

“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.