SCHEMBL4789369

SCHEMBL4789369

CC(C)(C)OC(=O)N(CC(=O)O)CC1CO1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CA14 Q9ULX7 1/20 0.33
ASGR1 P07306 1/20 0.33
CTSD P07339 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL31599786 0.82 CNR2 (0.35) ALDH1A1CA14CTSSNFKB1NFKB2
SCHEMBL23227440 0.81 CA14 (0.36) ALDH1A1CA14ASGR1NFKB1NFKB2
SCHEMBL78691 0.80 CA14 (0.41) CA14CTSDCTSLCTSBCTSS
SCHEMBL16318667 0.80 ALDH1A1 (0.39) ALDH1A1CA14ASGR1CTSDCTSL
SCHEMBL2810316 0.79 CTSS (0.35) CA14CTSS
SCHEMBL21377451 0.79 CA14 (0.33) CA14ASGR1
SCHEMBL6680983 0.78 CTSK (0.37) CA14CTSSHDAC1HDAC6
SCHEMBL1022362 0.78 ALDH1A1 (0.38) ALDH1A1ASGR1CTSDCTSLCTSB
SCHEMBL1022363 0.78 ALDH1A1 (0.38) ALDH1A1ASGR1CTSDCTSLCTSB
SCHEMBL2579003 0.77 CA14 (0.42) CA14CTSDCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306285-A1 Heat-Labile Prodrugs ALEXZA PHARMACEUTICALS, INC. (US) 2008-12-11 US disclosed
WO-2008134668-A2 HEAT-LABILE PRODRUGS ALEXZA PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
EP-0934065-B1 NOVEL CRYPTOPHYCIN DERIVATIVES AS ANTI-NEOPLASTIC AGENTS UNIV HAWAII (US) 2006-06-07 EP disclosed
US-6680311-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS ELI LILLY AND COMPANY 2004-01-20 US disclosed
EP-0934065-A4 PHARMACEUTICAL COMPOUNDS LILLY CO ELI (US) 2000-10-11 EP disclosed
EP-0934065-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-08-11 EP disclosed
WO-1998008505-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1998-03-05 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 (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-20080306285-A1 Heat-Labile Prodrugs HSP90AB1, HSP90AB2P, HSP90AA1 ALDH1A1 74/4885CA14 2193/4885ASGR1 1781/4885

“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.