SCHEMBL13807401

SCHEMBL13807401

CC(C)(C)c1cc(C(=O)CBr)c2c(c1)C(C)(C)CC2

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.57
RXRG P48443 6/20 0.47
RXRB P28702 6/20 0.43
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31

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
SCHEMBL112943 0.84 RXRA (0.63) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL29374183 0.84 RXRA (0.63) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL3633427 0.83 RXRA (0.65) RXRARXRGRXRB
SCHEMBL7081379 0.78 RXRA (0.59) RXRARXRGRXRB
SCHEMBL7081382 0.78 RXRA (0.59) RXRARXRGRXRB
SCHEMBL7085844 0.76 RXRA (0.60) RXRARXRGRXRB
SCHEMBL29403030 0.75 RXRA (0.50) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL585772 0.75 RXRA (0.50) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL8417710 0.75 RXRA (0.56) RXRARXRGRXRB
SCHEMBL7088008 0.74 RXRA (0.61) RXRARXRGRXRB

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-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 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 (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-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 RXRA 292/4885RXRG 237/4885RXRB 197/4885

“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.