SCHEMBL6444931

SCHEMBL6444931

CC(C)C(C)[CH]S(=O)(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.35
POLB P06746 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL3591617 0.73 CA12 (0.54) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL18982019 0.69 CA12 (0.54) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL1396522 0.69 CA12 (0.54) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL31088222 0.69 CA12 (0.54) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL1107023 0.69 CA12 (0.54) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL6602676 0.65 CA12 (0.50) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL21795553 0.65 CA12 (0.50) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL22093201 0.65 CA12 (0.50) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL12449171 0.65 CA12 (0.50) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL1396507 0.65 CA12 (0.45) CA12CA7CA14SMN1; SMN2TSHR

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 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 (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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CA12 613/4885CA7 1535/4885CA14 793/4885

“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.