SCHEMBL452826

SCHEMBL452826

COC(=O)c1ccc(-c2ccc(-n3c(C(C)N(C)S(=O)(=O)c4ccc(C(C)(C)C)cc4)nc4ccccc4c3=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CXCR3 P49682 16/20 0.43
PRSS1 P07477 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL451928 0.93 CXCR3 (0.43) POLBCXCR3PRSS1ALDH1A1
SCHEMBL454416 0.92 CXCR3 (0.48) CXCR3PRSS1
SCHEMBL451971 0.90 CXCR3 (0.47) CXCR3PRSS1
SCHEMBL454538 0.90 CXCR3 (0.47) CXCR3PRSS1
SCHEMBL448994 0.89 POLB (0.40) POLBCXCR3ALDH1A1
SCHEMBL452942 0.89 CXCR3 (0.49) CXCR3PRSS1
SCHEMBL449419 0.89 ALDH1A1 (0.50) CXCR3PRSS1ALDH1A1
SCHEMBL451511 0.88 PRSS1 (0.49) CXCR3PRSS1
SCHEMBL1552855 0.88 CXCR3 (0.47) CXCR3PRSS1ALDH1A1
SCHEMBL451506 0.88 CXCR3 (0.46) CXCR3PRSS1ALDH1A1

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 6 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

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 POLB 3961/4885CXCR3 741/4885PRSS1 3817/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 POLB 3961/4885CXCR3 741/4885PRSS1 3817/4885

“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.