SCHEMBL7092648

SCHEMBL7092648

CCCCCCCCS(=O)(=O)N1CCC(Nc2ccc(CCNC(=O)O)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.49
FKBP1A P62942 2/20 0.48
EPHX2 P34913 3/20 0.47
GAA P10253 2/20 0.46
POLB P06746 1/20 0.44
ADRB3 P13945 3/20 0.44
ADRB1 P08588 1/20 0.44
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL7095496 0.85 EPHX2 (0.47) MEN1KMT2AALDH1A1HPGDFKBP1A
SCHEMBL7095318 0.81 ADRB3 (0.54) MEN1KMT2AALDH1A1ADRB3ADRB1
SCHEMBL7094544 0.81 ADRB3 (0.49) MEN1KMT2AEPHX2ADRB3ADRB1
SCHEMBL7095290 0.79 KMT2A (0.64) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL7092876 0.77 KMT2A (0.66) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL7094653 0.77 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL7095565 0.76 ADRB3 (0.50) MEN1KMT2APOLBADRB3ADRB1
SCHEMBL7094210 0.76 ADRB3 (0.73) MEN1KMT2AADRB3ADRB1TSHR
SCHEMBL7094211 0.76 ADRB3 (0.73) MEN1KMT2AADRB3ADRB1TSHR
SCHEMBL7091403 0.75 ADRB3 (0.51) MEN1KMT2AEPHX2POLBADRB3

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 MEN1 2931/4885KMT2A 3613/4885ALDH1A1 725/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MEN1 2107/4885KMT2A 4020/4885ALDH1A1 524/4885

“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.