SCHEMBL1522571

SCHEMBL1522571

CCCCCn1c(=O)oc(=O)c2sccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.36
KCNH2 Q12809 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1522285 0.96 ALDH1A1 (0.39) ALDH1A1NPSR1TP53KMT2AELANE
SCHEMBL1522821 0.83 ALDH1A1 (0.36) ALDH1A1NPSR1TP53KMT2AELANE
SCHEMBL1522918 0.80 LMNA (0.39) ALDH1A1TP53KMT2AELANEGAA
SCHEMBL9910006 0.78 ALDH1A1 (0.42) ALDH1A1NPSR1TP53HPGDTSHR
SCHEMBL12184419 0.78 ALDH1A1 (0.42) ALDH1A1NPSR1TP53HPGDTSHR
SCHEMBL1523122 0.77 KMT2A (0.36) KMT2AELANEGAA
SCHEMBL1523552 0.77 FEN1 (0.33) ALDH1A1NPSR1TSHRKMT2AELANE
SCHEMBL1271477 0.75 EGLN1 (0.37) ALDH1A1HPGDTSHRKMT2AELANE
SCHEMBL13989010 0.75 KMT2A (0.36) HPGDTSHRKMT2AELANEUSP2
SCHEMBL2453991 0.74 PGR (0.55) ALDH1A1NPSR1TP53HPGD

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 1434/4885NPSR1 4323/4885TP53 3666/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885NPSR1 4323/4885TP53 3666/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ALDH1A1 891/4885NPSR1 4037/4885TP53 3890/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ALDH1A1 1592/4885NPSR1 4146/4885TP53 3573/4885

“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.