SCHEMBL7097009

SCHEMBL7097009

NC(=S)N1CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 6/20 0.40
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37
CASP7 P55210 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1752131 0.78 ALDH1A1 (0.42) KMT2ALMNAHPGDALDH1A1POLB
SCHEMBL3869388 0.78 KMT2A (0.50) KMT2ALMNAHPGDALDH1A1POLB
SCHEMBL1752132 0.77 CA1 (0.54) KMT2ALMNAALDH1A1POLBMAPK1
SCHEMBL7699806 0.74 VNN1 (0.34)
SCHEMBL14344822 0.71 KMT2A (0.47) KMT2ALMNAHPGDALDH1A1POLB
SCHEMBL3047968 0.71 ALDH1A1 (0.53) KMT2ALMNAHPGDALDH1A1POLB
SCHEMBL13088273 0.71 KMT2A (0.56) KMT2ALMNAHPGDALDH1A1POLB
SCHEMBL15531169 0.71 KMT2A (0.44) KMT2ALMNAHPGDALDH1A1POLB
SCHEMBL1475101 0.70 DPP4 (0.33)
SCHEMBL31466071 0.70 KMT2A (0.54) KMT2ALMNAHPGDALDH1A1POLB

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 KMT2A 3613/4885LMNA 2367/4885HPGD 825/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KMT2A 4020/4885LMNA 1884/4885HPGD 947/4885

“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.