SCHEMBL4101696

SCHEMBL4101696

Cc1cccc(-c2cc(CC(OS(C)(=O)=O)c3cc(-c4cccc(C)c4)on3)no2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 2/20 0.35
NOTUM Q6P988 1/20 0.35
THRB P10828 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
MLLT1 Q03111 1/20 0.33
PTGS2 P35354 1/20 0.33
GAA P10253 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33

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
SCHEMBL4089335 0.82 GRM5 (0.48) GRM5MEN1KMT2ATP53THRB
SCHEMBL3110806 0.82 GRM5 (0.48) GRM5MEN1KMT2ATP53THRB
SCHEMBL3110799 0.82 GRM5 (0.48) GRM5MEN1KMT2ATP53THRB
SCHEMBL4048480 0.79 MEN1 (0.39) MEN1KMT2ATP53NOTUMTHRB
SCHEMBL4101694 0.74 NOTUM (0.50) MEN1KMT2ATP53NOTUMTHRB
SCHEMBL23852804 0.73 EPHX2 (0.37) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL17922502 0.72 NOTUM (0.47) MEN1KMT2ATP53NOTUMSMN1; SMN2
SCHEMBL2900829 0.71 NOTUM (0.68) MEN1KMT2ATP53NOTUMTHRB
SCHEMBL17788469 0.71 GRM5 (0.45) GRM5MEN1KMT2ATP53SMN1; SMN2
SCHEMBL3723768 0.71 NOTUM (0.43) MEN1KMT2ATP53NOTUMTHRB

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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885MEN1 4260/4885KMT2A 1682/4885

“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.