SCHEMBL6530245

SCHEMBL6530245

COc1ccc(CSCCC(=O)CCC(=O)CCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 2/20 0.55
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
EGFR P00533 1/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6509953 0.82 BCHE (0.54) ALDH1A1SMN1; SMN2PKMBCHEACHE
SCHEMBL6517918 0.82 BCHE (0.54) ALDH1A1SMN1; SMN2PKMBCHEACHE
SCHEMBL6519828 0.82 BCHE (0.54) ALDH1A1SMN1; SMN2PKMBCHEACHE
SCHEMBL20610741 0.77 F2RL1 (0.51) ALDH1A1PKMBCHEACHEEGFR
SCHEMBL6803332 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2BCHEACHEEGFR
SCHEMBL1616445 0.74 STAT3 (0.43) ALDH1A1SMN1; SMN2PKMGAA
SCHEMBL28931265 0.74 STAT3 (0.43) ALDH1A1PKMGAALMNA
SCHEMBL1681607 0.74 STAT3 (0.43) ALDH1A1PKMGAALMNA
SCHEMBL8780852 0.72 FKBP1A (0.53) ALDH1A1SMN1; SMN2BCHEACHEEGFR
SCHEMBL5870597 0.71 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2PKMBCHEACHE

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 ALDH1A1 2277/4885SMN1; SMN2 1359/4885PKM 3276/4885
US-20050192430-A1 Linker arms for nanocrystals and compounds thereof NCL, CHN2, SCO2 ALDH1A1 3030/4885SMN1; SMN2 1903/4885PKM 4211/4885

“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.