SCHEMBL453148

SCHEMBL453148

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)nc3cccc(C)c3c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 10/20 0.44
MMP9 P14780 2/20 0.40
MMP2 P08253 1/20 0.40
NOX4 Q9NPH5 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 1/20 0.36
PIK3CD O00329 1/20 0.36
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NPBWR1 P48145 1/20 0.36

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
SCHEMBL452305 0.93 CXCR3 (0.41) CXCR3MMP9MMP2ALDH1A1HRH3
SCHEMBL451645 0.92 CXCR3 (0.38) CXCR3MMP9MMP2ALDH1A1HRH3
SCHEMBL450632 0.91 ALDH1A1 (0.42) CXCR3MMP9MMP2ALDH1A1HRH3
SCHEMBL448724 0.89 NPBWR1 (0.40) CXCR3MMP9MMP2ALDH1A1HRH3
SCHEMBL452784 0.88 ALDH1A1 (0.44) CXCR3ALDH1A1HRH3KCNH2PIK3CD
SCHEMBL451207 0.87 CXCR3 (0.44) CXCR3MMP9MMP2NOX4ALDH1A1
SCHEMBL452063 0.85 CXCR3 (0.44) CXCR3ALDH1A1HRH3KCNH2PIK3CD
SCHEMBL452097 0.84 HRH3 (0.39) CXCR3MMP9MMP2ALDH1A1HRH3
SCHEMBL453516 0.83 CXCR3 (0.46) CXCR3NOX4ALDH1A1HRH3KCNH2
SCHEMBL452241 0.83 CXCR3 (0.46) CXCR3ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885MMP9 4796/4885MMP2 4759/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885MMP9 4796/4885MMP2 4759/4885

“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.