SCHEMBL5830802

SCHEMBL5830802

O=S(=O)(c1cccs1)N1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.77
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 3/20 0.60
JAK2 O60674 1/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
POLB P06746 2/20 0.57
USP2 O75604 1/20 0.57
MAPK1 P28482 3/20 0.56
TSHR P16473 2/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL5415687 0.84 PKM (0.85) PKMMEN1KMT2AMAPTJAK2
SCHEMBL2984938 0.82 PKM (0.82) PKMMEN1KMT2AMAPTJAK2
SCHEMBL12092977 0.79 PKM (0.83) PKMMEN1KMT2AMAPTJAK2
SCHEMBL4699729 0.79 PKM (0.77) PKMMEN1KMT2AMAPTJAK2
SCHEMBL16940 0.79 PKM (0.77) PKMMEN1KMT2AMAPTJAK2
SCHEMBL12656171 0.79 PKM (0.77) PKMMEN1KMT2AMAPTJAK2
SCHEMBL31553468 0.79 PKM (0.52) PKMMEN1KMT2AMAPTJAK2
Hydrochloric Acid SCHEMBL16597 0.78 PKM (0.74) PKMMEN1KMT2AMAPTJAK2
SCHEMBL13598990 0.77 PKM (0.72) PKMMEN1KMT2ANPC1RAB9A
SCHEMBL26105920 0.77 PKM (0.72) PKMMEN1KMT2AMAPTJAK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105531268-B Noval chemical compound and its pharmaceutical composition for treating cystic fibrosis 加拉佩格斯股份有限公司 2017-09-12 CN disclosed
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP disclosed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 US disclosed
US-6589984-B1 Blood cholesterol and triglycerides (TG) themselves are generally insoluble in blood, and they exist as lipoproteins by binding with apolipoproteins. In the body, triglycerides are biosynthesized primarily in the liver from acetyl CoA as TEIJIN LIMITED (JP) 2003-07-08 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
US-6093735-A TREATMENT OF TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-07-25 US disclosed
US-6075040-A OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2000-06-13 US disclosed
US-6060492-A SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 2000-05-09 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-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 PKM 2135/4885MEN1 3634/4885KMT2A 4009/4885
US-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 PKM 3300/4885MEN1 4015/4885KMT2A 3116/4885

“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.