SCHEMBL7092798

SCHEMBL7092798

CC(=O)Nc1cccc(OC[C@@H]2CO2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 2/20 0.60
TP53 P04637 2/20 0.60
TSHR P16473 2/20 0.60
CYP3A4 P08684 1/20 0.60
HIF1A Q16665 1/20 0.60
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
AHR P35869 1/20 0.53
MAPT P10636 3/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL29847483 1.00 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TP53TSHRCYP3A4
SCHEMBL28644970 1.00 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TP53TSHRCYP3A4
SCHEMBL15821380 0.88 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1TP53TSHRCYP3A4
SCHEMBL184047 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TP53TSHRCYP3A4
SCHEMBL11643118 0.86 TP53 (0.56) SMN1; SMN2ALDH1A1TP53TSHRCYP3A4
SCHEMBL15943923 0.84 TP53 (0.54) SMN1; SMN2ALDH1A1TP53TSHRCYP3A4
SCHEMBL184081 0.83 TP53 (0.56) SMN1; SMN2ALDH1A1TP53TSHRCYP3A4
SCHEMBL5144110 0.83 KMT2A (0.59) SMN1; SMN2ALDH1A1TP53TSHRHIF1A
SCHEMBL9537966 0.83 KMT2A (0.59) SMN1; SMN2ALDH1A1TP53TSHRHIF1A
SCHEMBL6915692 0.82 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1TP53TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 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 (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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 SMN1; SMN2 3162/4885ALDH1A1 725/4885TP53 4790/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 SMN1; SMN2 2712/4885ALDH1A1 524/4885TP53 4644/4885

“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.