SCHEMBL7030446

SCHEMBL7030446

O=S(=O)(CCC1CCC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL15749898 0.95 ALDH1A1 (0.41) ALDH1A1
SCHEMBL12228692 0.91 ALDH1A1 (0.40) ALDH1A1
SCHEMBL7031523 0.83 CYP1A2 (0.40) ALDH1A1
SCHEMBL17645782 0.71 CYP1A2 (0.31) ALDH1A1
SCHEMBL3046027 0.71 CYP1A2 (0.31) ALDH1A1
SCHEMBL3046028 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9320849 0.71 PTGS1 (0.36) ALDH1A1
SCHEMBL5783976 0.71 CA2 (0.33) ALDH1A1
SCHEMBL14730379 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23934777 0.71 CA1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093206-B2 Methods involving long lasting synthetic exendin-4 peptide conjugates CONJUCHEM, LLC (US) 2012-01-10 US disclosed
US-8026265-B2 Heterocycle substituted ketone derivatives as histone deacetylase (HDAC) inhibitors Istituto de Ricerche di Biologia Molecolare P. Angeletti SpA. (IT) 2011-09-27 US disclosed
US-20100234374-A1 Heterocycle Substituted Ketone Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2010-09-16 US disclosed
US-7745413-B2 Collection of traceable compounds and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-29 US disclosed
US-7625938-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20090175821-A1 Modified therapeutic peptides with extended half-lives in vivo CONJUCHEM, LLC 2009-07-09 US disclosed
US-20090093408-A1 Protection of exendin-4 peptides through conjugation CONJUCHEM, LLC 2009-04-09 US disclosed
US-20090075890-A1 Long lasting synthetic exendin-4 peptide conjugates and methods of use thereof CONJUCHEM BIOTECHNOLOGIES INC. 2009-03-19 US disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-7456184-B2 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES INC. (US) 2008-11-25 US disclosed
US-20080176763-A1 Collection of Traceable Compounds and Uses Thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-07-24 US disclosed
US-7256253-B2 Protection of endogenous therapeutic peptides from peptidase activity through conjugation to blood components CONJUCHEM BIOTECHNOLOGIES INC. (CA) 2007-08-14 US disclosed
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation ABBOTT LABORATORIES 2003-03-20 US disclosed
WO-2002081441-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRROLIDINE NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2002-10-17 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 (6 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-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C ALDH1A1 176/4885
US-20090175821-A1 Modified therapeutic peptides with extended half-lives in vivo DNPEP, ANPEP, ENPEP ALDH1A1 3322/4885
US-20090075890-A1 Long lasting synthetic exendin-4 peptide conjugates and methods of use thereof IAPP, VIP, GLP1R ALDH1A1 4121/4885
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation NEU4, NEU2, NEU1 ALDH1A1 410/4885
US-20100234374-A1 Heterocycle Substituted Ketone Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC7, HDAC4 ALDH1A1 950/4885
US-20090093408-A1 Protection of exendin-4 peptides through conjugation VIP, PEPD, ANPEP ALDH1A1 4179/4885

“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.