Sugi Predict

Sugi Predict / Compounds / SCHEMBL7138202

SCHEMBL7138202

SCHEMBL7138202

COc1ccc(S(=O)(=O)C(NC[C@H](O)COc2cccc3c2-c2ccccc2C3=O)C2CCNCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 8/20 0.45
▸ ADRB1 P08588 3/20 0.44
▸ MMP1 P03956 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ CASR P41180 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 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
SCHEMBL7138264 0.84 ADRB3 (0.65) ADRB3ADRB1MMP1MMP2MMP3
SCHEMBL7133464 0.83 ADRB3 (0.65) ADRB3ADRB1KMT2AGAAADRB2
SCHEMBL7133333 0.83 ADRB3 (0.46) ADRB3ADRB1MMP1MMP2MMP3
SCHEMBL7131770 0.82 ADRB3 (0.57) ADRB3ADRB1MMP1MMP2MMP3
SCHEMBL7131611 0.82 HTR1A (0.54) ADRB3ADRB1CYP2D6KMT2ASLC6A2
SCHEMBL7521994 0.77 ADRB3 (0.52) ADRB3ADRB1MMP3MMP8KMT2A
SCHEMBL7138195 0.77 ADRB3 (0.57) ADRB3ADRB1ALDH1A1KMT2AGAA
SCHEMBL7138198 0.77 ADRB3 (0.57) ADRB3ADRB1ALDH1A1KMT2AGAA
SCHEMBL7136040 0.76 ADRB3 (0.49) ADRB3ADRB1ALDH1A1KMT2AGAA
SCHEMBL7132624 0.76 ADRB3 (0.65) ADRB3ADRB1CASRCYP2D6KMT2A

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
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 — — WO claimed
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 — — US disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 — — US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS 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 (1 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-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 ADRB3 4/4885ADRB1 2/4885MMP1 1574/4885

“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.