SCHEMBL7092632

SCHEMBL7092632

CCCCCCNC(=O)Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.71
ALDH1A1 P00352 2/20 0.71
HTT P42858 1/20 0.71
S1PR1 P21453 1/20 0.67
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
GHSR Q92847 6/20 0.58
EPHX2 P34913 1/20 0.56
ADRB3 P13945 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL23720579 0.94 S1PR1 (0.63) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL13926075 0.88 MEN1 (0.59) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL6438783 0.88 EPHX1 (0.84) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL11033138 0.88 EPHX1 (0.84) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL11034317 0.88 EPHX1 (0.84) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL822126 0.87 EPHX1 (0.72) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL17189466 0.87 EPHX1 (0.72) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL468415 0.87 EPHX1 (0.72) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL17189471 0.87 EPHX1 (0.72) EPHX1ALDH1A1HTTS1PR1LMNA
SCHEMBL15358666 0.87 EPHX1 (0.72) EPHX1ALDH1A1HTTS1PR1LMNA

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 5 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
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO 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 EPHX1 1421/4885ALDH1A1 725/4885HTT 1613/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 EPHX1 1600/4885ALDH1A1 524/4885HTT 1194/4885

“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.