Sugi Predict

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SCHEMBL1522475

SCHEMBL1522475

CCOC(=O)c1c(O)c2sc(SC)nc2n(Cc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPK1 P28482 2/20 0.44
▸ FEN1 P39748 2/20 0.44
▸ LMNA P02545 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TDP2 O95551 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ PLCG1 P19174 1/20 0.42
▸ PAX8 Q06710 1/20 0.42

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
SCHEMBL2500260 0.80 LMNA (0.45) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL7832109 0.79 KDM4E (0.58) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL20745645 0.78 ALDH1A1 (0.44) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL1523169 0.77 KDM4E (0.54) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL4158509 0.75 FEN1 (0.67) KDM4EALDH1A1TSHRFEN1MAPT
SCHEMBL2088737 0.75 KDM4E (0.52) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL1522545 0.74 MEN1 (0.62) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL10080438 0.74 ERCC5 (0.41) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL2087647 0.72 KDM4E (0.52) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL1522936 0.72 KDM4E (0.81) KDM4EALDH1A1GAAHSD17B10L3MBTL1

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 KDM4E 4352/4885ALDH1A1 1434/4885GAA 172/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB KDM4E 4352/4885ALDH1A1 1434/4885GAA 172/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 KDM4E 4075/4885ALDH1A1 891/4885GAA 494/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT KDM4E 3897/4885ALDH1A1 1592/4885GAA 167/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB KDM4E 4352/4885ALDH1A1 1434/4885GAA 172/4885

“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.