SCHEMBL4209463

SCHEMBL4209463

COc1cc(COS(C)(=O)=O)cc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 10/20 0.45
MRGPRX4 Q96LA9 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALKBH1 Q13686 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RXRA P19793 1/20 0.41
CASR P41180 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EGLN1 Q9GZT9 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
SCHEMBL4402201 0.87 ALDH1A1 (0.44) RAB9ASMN1; SMN2TP53PKMNPC1
SCHEMBL4529293 0.84 ALDH1A1 (0.44) TAS2R14POLBKMT2ACA1CA2
SCHEMBL14812185 0.78 PLA2G2A (0.51) TAS2R14MRGPRX4RAB9APKMNPC1
SCHEMBL27999944 0.77 RXRA (0.47) TAS2R14MRGPRX4RAB9ASMN1; SMN2TP53
SCHEMBL57366 0.77 RXRA (0.47) TAS2R14MRGPRX4RAB9ASMN1; SMN2TP53
SCHEMBL3087323 0.76 FFAR4 (0.43) TP53MEN1KMT2A
SCHEMBL3305248 0.76 APLNR (0.37) SMN1; SMN2POLB
SCHEMBL5270681 0.76 CA1 (0.47) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL15720840 0.76 RXRA (0.50) TAS2R14PKMRXRACA1CA2
SCHEMBL12480647 0.76 RXRA (0.46) TAS2R14MRGPRX4RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 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 (1 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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF TAS2R14 3293/4885MRGPRX4 1629/4885RAB9A 131/4885

“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.