SCHEMBL451872

SCHEMBL451872

COC(=O)c1cccc(-c2ccc3nc(C(C)NCS(=O)(=O)c4ccc(C(C)(C)C)cc4)n(-c4ccc(C)cc4)c(=O)c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DHODH Q02127 1/20 0.35
LMNA P02545 2/20 0.35
ERN1 O75460 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
STAT5B P51692 1/20 0.35
PTPRS Q13332 1/20 0.35
MAPT P10636 2/20 0.34
PIK3CG P48736 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
SCHEMBL448445 0.94 ALDH1A1 (0.37) PI4KACA12CA1CA2CA9
SCHEMBL448993 0.94 POLB (0.39) PI4KACA12CA1CA2CA9
SCHEMBL451929 0.91 POLB (0.42) CA12CA1CA2CA9POLB
SCHEMBL451873 0.85 PTPN2 (0.39) PI4KACA12CA1CA2CA9
SCHEMBL448696 0.85 PDE10A (0.39)
SCHEMBL452827 0.85 POLB (0.49) POLBALDH1A1LMNASMN1; SMN2
SCHEMBL453929 0.83 PTGES (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL453921 0.79 MEN1 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL454415 0.79 MAPK1 (0.46) POLB
SCHEMBL448994 0.78 POLB (0.40) PI4KAPOLBALDH1A1LMNASTAT3

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
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US claimed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US claimed
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 PI4KA 901/4885CA12 4861/4885CA1 4696/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PI4KA 901/4885CA12 4861/4885CA1 4696/4885

“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.