SCHEMBL6807401

SCHEMBL6807401

O=C(O)C(=S)Cc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
ALOX5 P09917 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42
PTPN1 P18031 1/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX2 P34913 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41

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
Methacrylic Acid SCHEMBL8343260 0.90 ALDH1A1 (0.45) ALDH1A1ATMKMT2AGAAMEN1
SCHEMBL6807407 0.81 ALDH1A1 (0.44) ALDH1A1ALOX5LMNAKMT2AGAA
SCHEMBL2680565 0.80 ERCC5 (0.52) ALDH1A1ALOX5ATMPTPN1KMT2A
SCHEMBL501135 0.79
SCHEMBL3084306 0.79
Hydrochloric Acid SCHEMBL9402312 0.78 ALDH1A1 (0.48) ALDH1A1ALOX5ATMKMT2AMEN1
SCHEMBL11677596 0.78
Methane SCHEMBL11616604 0.78 ALDH1A1 (0.48) ALDH1A1ALOX5ATMKMT2AMEN1
Ammonia Solution, Strong SCHEMBL28112564 0.78 ALDH1A1 (0.48) ALDH1A1ALOX5ATMKMT2AMEN1
SCHEMBL10484371 0.78 ALDH1A1 (0.48) ALDH1A1ALOX5ATMKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
EP-1204671-B1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M INNOVATIVE PROPERTIES CO (US) 2003-12-03 EP disclosed
US-6566508-B2 Compound for use in the accurate detection of food parasites 3M INNOVATIVE PROPERTIES COMPANY 2003-05-20 US disclosed
US-20020147317-A1 Fluorogenic compounds and uses therefor 3M INNOVATIVE PROPETIES COMPANY 2002-10-10 US disclosed
EP-1204671-A1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M Innovative Properties Company (US) 2002-05-15 EP disclosed
US-6372895-B1 USEFUL IN ASSAYING FOR BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY 2002-04-16 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
US-6215016-B1 HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA TORAY INDUSTRIES, INC. (JP) 2001-04-10 US disclosed
WO-2001010881-A1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-02-15 WO disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0841063-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1998-05-13 EP 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-20020147317-A1 Fluorogenic compounds and uses therefor NOTUM, WEE1, CPSF7 ALDH1A1 762/4885ALOX5 2031/4885ATM 4608/4885

“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.