SCHEMBL4089372

SCHEMBL4089372

Cc1cccc(-c2nc(COS(C)(=O)=O)no2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.45
GRM5 P41594 1/20 0.45
ADORA2B P29275 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL8271604 0.86 ALDH1A1 (0.46) PPARGPPARDPPARARAB9ANPC1
SCHEMBL1544712 0.83 CHRNB2 (0.48) PPARGPPARDPPARARAB9ANPC1
SCHEMBL13046 0.82 RAB9A (0.56) PPARGPPARDPPARARAB9ANPC1
SCHEMBL23986463 0.78 RAB9A (0.57) PPARGPPARDPPARARAB9ANPC1
SCHEMBL514236 0.78 RAB9A (0.57) PPARGPPARDPPARARAB9ANPC1
SCHEMBL1553059 0.77 VDR (0.46) PPARGPPARDPPARARAB9ANPC1
SCHEMBL4101465 0.77 RAB9A (0.48) PPARGPPARDPPARARAB9ANPC1
SCHEMBL1545210 0.76 RAB9A (0.56) PPARGPPARDPPARARAB9ANPC1
SCHEMBL4106551 0.76 NOTUM (0.66) PPARGPPARDPPARARAB9ANPC1
SCHEMBL4048480 0.75 MEN1 (0.39) PPARARAB9ASMN1; SMN2ALDH1A1TP53

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 3 patents. 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 claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
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 PPARG 914/4885PPARD 1031/4885PPARA 2128/4885

“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.