SCHEMBL7092512

SCHEMBL7092512

CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC(=O)CC2)s1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 2/20 0.47
SPR P35270 1/20 0.45
POLB P06746 1/20 0.43
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
PIK3CG P48736 10/20 0.41
PIK3CA P42336 5/20 0.41
PIK3CD O00329 4/20 0.41
PIK3CB P42338 4/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
LPAR4 Q99677 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL16442330 0.85 LPAR2 (0.47) LPAR2SPRPOLBRORARORC
SCHEMBL18711331 0.85 LPAR2 (0.49) LPAR2SPRPOLBRORARORC
SCHEMBL7095074 0.81 MAPK1 (0.47) LPAR2SPRPOLBPIK3CGALDH1A1
SCHEMBL18711341 0.81 SPR (0.47) LPAR2SPRPOLBRORARORC
SCHEMBL1939762 0.79 PIK3CG (0.46) LPAR2SPRPOLBRORARORC
SCHEMBL1939763 0.79 PIK3CG (0.46) LPAR2SPRPOLBRORARORC
SCHEMBL3281490 0.76 AKR1C3 (0.48) LPAR2LMNA
SCHEMBL4854398 0.74 PIK3CG (0.50) RORARORCRORBPIK3CGPIK3CA
SCHEMBL10125972 0.74 PIK3CG (0.57) RORARORCRORBPIK3CGPIK3CA
SCHEMBL41794 0.74 PIK3CG (0.59) RORARORCRORBPIK3CGPIK3CA

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 LPAR2 772/4885SPR 3412/4885POLB 2061/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LPAR2 1047/4885SPR 3415/4885POLB 2195/4885

“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.