SCHEMBL455183

SCHEMBL455183

CC(c1nc2ccccc2c(=O)n1-c1ccc(OC(F)(F)F)cc1)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 16/20 0.54
ALDH1A1 P00352 1/20 0.42
ACP1 P24666 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GBA1 P04062 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
SCHEMBL452149 0.92 CXCR3 (0.54) CXCR3KCNH2HRH3
SCHEMBL452103 0.91 CXCR3 (0.53) CXCR3
SCHEMBL452977 0.88 CXCR3 (0.53) CXCR3
SCHEMBL448644 0.88 CXCR3 (0.50) CXCR3ALDH1A1
SCHEMBL453684 0.87 CXCR3 (0.59) CXCR3
SCHEMBL451421 0.86 CXCR3 (0.50) CXCR3ALDH1A1
SCHEMBL449633 0.86 CXCR3 (0.54) CXCR3KCNH2HRH3
SCHEMBL451971 0.85 CXCR3 (0.47) CXCR3
SCHEMBL454538 0.85 CXCR3 (0.47) CXCR3
SCHEMBL450680 0.85 CXCR3 (0.49) CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
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
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 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 (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 741/4885ALDH1A1 3161/4885ACP1 3183/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885ALDH1A1 3161/4885ACP1 3183/4885

“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.