SCHEMBL449635

SCHEMBL449635

Cc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccc(OC(C)C)cc3c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.39
CXCR3 P49682 10/20 0.37
CNR2 P34972 1/20 0.36
PRSS1 P07477 1/20 0.34
POLB P06746 1/20 0.34
HPD P32754 1/20 0.34

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
SCHEMBL449395 0.92 ALDH1A1 (0.39) CXCR3HPD
SCHEMBL449077 0.90 CXCR3 (0.41) CXCR3
SCHEMBL452841 0.90 PPARG (0.38) CXCR3
SCHEMBL450958 0.89 CXCR3 (0.40) CXCR3POLBHPD
SCHEMBL452125 0.89 CXCR3 (0.42) CXCR3
SCHEMBL451728 0.88 PI4KA (0.38) PTGESCXCR3PRSS1POLBHPD
SCHEMBL448991 0.88 CXCR3 (0.39) CXCR3PRSS1POLBHPD
SCHEMBL451680 0.88 CXCR3 (0.41) CXCR3HPD
SCHEMBL448345 0.88 ALDH1A1 (0.43) PTGESCXCR3HPD
SCHEMBL448637 0.87 CXCR3 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGES 1467/4885CXCR3 741/4885CNR2 316/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PTGES 1467/4885CXCR3 741/4885CNR2 316/4885

“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.