SCHEMBL7095074

SCHEMBL7095074

CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC3(CC2)OCCO3)s1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
LPAR2 Q9HBW0 1/20 0.45
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SPR P35270 1/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.40
PIK3CG P48736 3/20 0.40
ALDH1A1 P00352 2/20 0.40

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 0.81 LPAR2 (0.47) LPAR2SPRPOLBPIK3CGALDH1A1
SCHEMBL18711331 0.81 LPAR2 (0.49) LPAR2LMNASPRPOLBPIK3CG
SCHEMBL7092512 0.81 LPAR2 (0.47) LPAR2LMNASPRPOLBPIK3CG
SCHEMBL1233967 0.80 PIK3CG (0.44) MAPK1LMNASMN1; SMN2PIK3CGALDH1A1
SCHEMBL18711341 0.77 SPR (0.47) LPAR2SPRPOLBPIK3CGALDH1A1
SCHEMBL1939763 0.75 PIK3CG (0.46) LPAR2SPRPOLBPIK3CGALDH1A1
SCHEMBL1939762 0.75 PIK3CG (0.46) LPAR2SPRPOLBPIK3CGALDH1A1
SCHEMBL10125972 0.71 PIK3CG (0.57) SMN1; SMN2PIK3CGALDH1A1
SCHEMBL4854398 0.71 PIK3CG (0.50) SMN1; SMN2PIK3CGALDH1A1
SCHEMBL41794 0.71 PIK3CG (0.59) SMN1; SMN2PIK3CGALDH1A1

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 MAPK1 581/4885LPAR2 772/4885LMNA 2367/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAPK1 377/4885LPAR2 1047/4885LMNA 1884/4885

“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.