SCHEMBL1523092

SCHEMBL1523092

CC(C)CCn1c(=O)oc(=O)c2ccsc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
ELANE P08246 3/20 0.36
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
ADORA2B P29275 1/20 0.33
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ERCC1 P07992 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
ERCC4 Q92889 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL2207892 0.85 HSD17B10 (0.39) ALDH1A1ELANELMNAADORA2BHPGD
SCHEMBL2207598 0.84 ELANE (0.38) ALDH1A1ELANELMNAADORA2BHPGD
SCHEMBL5613245 0.81 TDP1 (0.41) ALDH1A1ELANELMNAADORA2BHPGD
SCHEMBL2206340 0.80 ELANE (0.40) ALDH1A1ELANELMNAADORA2BHPGD
SCHEMBL1522918 0.77 LMNA (0.39) ALDH1A1ELANELMNAFEN1TP53
SCHEMBL23412821 0.75 ELANE (0.36) ELANEADORA2B
SCHEMBL2204604 0.74 ELANE (0.40) ELANECYP1A2CYP2C19
SCHEMBL5308775 0.74 ALDH1A1 (0.55) ALDH1A1ELANELMNAHPGDCYP1A2
SCHEMBL1523116 0.73 ERCC1 (0.34) ELANEADORA2BERCC1ERCC5FEN1
SCHEMBL1523208 0.73 ADORA2B (0.38) ALDH1A1ELANELMNAHTTADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 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 (5 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885ELANE 143/4885LMNA 3232/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885ELANE 143/4885LMNA 3232/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ALDH1A1 891/4885ELANE 139/4885LMNA 4000/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ALDH1A1 1592/4885ELANE 89/4885LMNA 4225/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885ELANE 143/4885LMNA 3232/4885

“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.