SCHEMBL4944035

SCHEMBL4944035

O=S(=O)(O)Cc1coc(-c2cccc(Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
NOTUM Q6P988 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
IKBKB O14920 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
SLC9A1 P19634 1/20 0.40
PDE4B Q07343 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL1544953 0.84 FFAR1 (0.53) FFAR1NOTUMIKBKBRAB9ANPC1
SCHEMBL21357696 0.82 FFAR1 (0.51) FFAR1NOTUMIKBKBRAB9ANPC1
SCHEMBL28787698 0.82 FFAR1 (0.60) FFAR1NOTUMIKBKBRAB9ANPC1
SCHEMBL1544644 0.80 FFAR1 (0.53) FFAR1NOTUMCA1CA2IKBKB
SCHEMBL27795829 0.75 NOTUM (0.54) FFAR1NOTUMIKBKBRAB9ANPC1
SCHEMBL2868465 0.74 ADRB2 (0.55) FFAR1NOTUMIKBKBRAB9ANPC1
SCHEMBL5536966 0.72 TP53 (0.52) NOTUMCA1CA2IKBKBRAB9A
SCHEMBL30420570 0.72 TP53 (0.52) NOTUMCA1CA2IKBKBRAB9A
SCHEMBL26684259 0.72 NOTUM (0.51) FFAR1NOTUMIKBKBRAB9ANPC1
SCHEMBL5536961 0.72 NOTUM (0.51) FFAR1NOTUMIKBKBRAB9ANPC1

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-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 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-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 FFAR1 172/4885NOTUM 1681/4885CA1 1431/4885

“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.