SCHEMBL5214593

SCHEMBL5214593

C[C](C)CCS(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
HSD11B1 P28845 5/20 0.61
L3MBTL1 Q9Y468 1/20 0.56
PSIP1 O75475 1/20 0.56
POLB P06746 3/20 0.52
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL6915414 0.86 ALDH1A1 (0.66) MAPTHSD11B1L3MBTL1PSIP1POLB
SCHEMBL1001018 0.81 HSD11B1 (0.69) MAPTHSD11B1L3MBTL1PSIP1POLB
SCHEMBL11438483 0.80 MAPT (0.58) MAPTHSD11B1L3MBTL1PSIP1POLB
SCHEMBL11438487 0.80 MAPT (0.58) MAPTHSD11B1L3MBTL1PSIP1POLB
SCHEMBL777601 0.79 PSIP1 (0.67) MAPTHSD11B1L3MBTL1PSIP1POLB
Hydrochloric Acid SCHEMBL10584023 0.79 HSD11B1 (0.67) MAPTHSD11B1L3MBTL1POLBKDM4E
SCHEMBL24590151 0.79 HSD11B1 (0.68) MAPTHSD11B1L3MBTL1PSIP1POLB
SCHEMBL1232793 0.79 HDAC1 (0.57) MAPTHSD11B1L3MBTL1PSIP1POLB
SCHEMBL7321453 0.78 POLB (0.66) MAPTHSD11B1PSIP1POLBKMT2A
SCHEMBL1161573 0.78 HSD11B1 (0.65) MAPTHSD11B1L3MBTL1PSIP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
US-20040192697-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-09-30 US disclosed
WO-2004060893-A1 PYRROLOPYRIDINE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2004-07-22 WO disclosed
US-20040122218-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-06-24 US disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
US-20030199578-A1 Naphthalene amides as potassium channel openers ABBOTT LABORATORIES 2003-10-23 US disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 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 (6 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 MAPT 2939/4885HSD11B1 3405/4885L3MBTL1 869/4885
US-20040122218-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 MAPT 1529/4885HSD11B1 3960/4885L3MBTL1 3492/4885
US-20030199578-A1 Naphthalene amides as potassium channel openers KCNJ2, KCNN2, KCNJ1 MAPT 1450/4885HSD11B1 4062/4885L3MBTL1 3578/4885
US-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MAPT 3949/4885HSD11B1 2454/4885L3MBTL1 1654/4885
US-20040192697-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 MAPT 1529/4885HSD11B1 3960/4885L3MBTL1 3492/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MAPT 3949/4885HSD11B1 2454/4885L3MBTL1 1654/4885

“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.