SCHEMBL6509953

SCHEMBL6509953

COc1ccc(CSCCOCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.54
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
GAA P10253 1/20 0.45
EGFR P00533 1/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL6517918 1.00 BCHE (0.54) BCHEACHEALDH1A1SMN1; SMN2PKM
SCHEMBL6519828 1.00 BCHE (0.54) BCHEACHEALDH1A1SMN1; SMN2PKM
SCHEMBL31145709 0.82 ALDH1A1 (0.54) BCHEACHEALDH1A1SMN1; SMN2PKM
SCHEMBL6530245 0.82 ALDH1A1 (0.55) BCHEACHEALDH1A1SMN1; SMN2PKM
SCHEMBL21587522 0.80 APP (0.56) BCHEACHEALDH1A1SMN1; SMN2PKM
SCHEMBL31145807 0.78 ALDH1A1 (0.50) BCHEACHEALDH1A1SMN1; SMN2PKM
SCHEMBL6803332 0.78 ALDH1A1 (0.55) BCHEACHEALDH1A1SMN1; SMN2EGFR
SCHEMBL478342 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PKMGAACA12
SCHEMBL881292 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PKMGAACA12
SCHEMBL4379133 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PKMGAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192430-A1 Linker arms for nanocrystals and compounds thereof ROSENTHAL SANDRA J (US) 2005-09-01 US disclosed
US-20030129590-A1 Linker arms for nanocrystals and compounds thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-10 US disclosed
WO-2001090716-A2 LINKER ARMS FOR NANOCRYSTALS AND COMPOUNDS THEREOF VANDERBILT UNIVERSITY (US) 2001-11-29 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-20030129590-A1 Linker arms for nanocrystals and compounds thereof SCO2, NCL, NCAPH BCHE 144/4885ACHE 715/4885ALDH1A1 2277/4885
US-20050192430-A1 Linker arms for nanocrystals and compounds thereof NCL, CHN2, SCO2 BCHE 1511/4885ACHE 783/4885ALDH1A1 3030/4885

“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.