SCHEMBL451357

SCHEMBL451357

CC(c1nc2ccccc2c(=O)n1-c1ccc(-c2ccccc2Cl)cc1)N(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.44
CXCR3 P49682 17/20 0.41
HTR6 P50406 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL450728 0.91 PRSS1 (0.42) PRSS1CXCR3
SCHEMBL453544 0.91 HTR6 (0.46) PRSS1CXCR3HTR6SMN1; SMN2
SCHEMBL454538 0.90 CXCR3 (0.47) PRSS1CXCR3
SCHEMBL451971 0.90 CXCR3 (0.47) PRSS1CXCR3
SCHEMBL451511 0.90 PRSS1 (0.49) PRSS1CXCR3
SCHEMBL449536 0.90 PRSS1 (0.37) PRSS1CXCR3SMN1; SMN2
SCHEMBL449279 0.90 HTR6 (0.48) PRSS1CXCR3HTR6SMN1; SMN2
SCHEMBL451766 0.89 CXCR3 (0.42) PRSS1CXCR3SMN1; SMN2
SCHEMBL449628 0.89 PRSS1 (0.49) PRSS1CXCR3
SCHEMBL451506 0.88 CXCR3 (0.46) PRSS1CXCR3SMN1; SMN2

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 PRSS1 3817/4885CXCR3 741/4885HTR6 1521/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PRSS1 3817/4885CXCR3 741/4885HTR6 1521/4885

“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.