SCHEMBL1899005

SCHEMBL1899005

Cc1ccc(S(=O)(=O)C(CC=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP13 P45452 1/20 0.46
KMT2A Q03164 2/20 0.44
NPY2R P49146 1/20 0.44
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL8215966 0.91 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1LMNAMAPT
SCHEMBL1892682 0.89 MMP13 (0.44) ALDH1A1RAB9ANPC1LMNAMAPT
SCHEMBL28825173 0.86 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1LMNAMAPT
SCHEMBL28825133 0.85 ACHE (0.42) ALDH1A1RAB9ANPC1LMNAMAPT
SCHEMBL27525693 0.82 CA1 (0.42) MAPTSMN1; SMN2MMP13KMT2AMMP2
SCHEMBL8817044 0.79 MMP13 (0.54) ALDH1A1RAB9ANPC1LMNAMAPT
SCHEMBL14036499 0.79 MAPT (0.46) ALDH1A1RAB9ANPC1LMNAMAPT
SCHEMBL7599905 0.78 MMP13 (0.52) ALDH1A1RAB9ANPC1LMNAMAPT
SCHEMBL13281778 0.76 CA1 (0.40) MMP13CYP2D6CA12CA9CA1
SCHEMBL14410815 0.76 NPY2R (0.47) ALDH1A1RAB9ANPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA 2009-07-16 US claimed
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 EP claimed
US-20040220074-A1 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2004-11-04 US claimed
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP claimed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 WO claimed
US-7935669-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2011-05-03 US disclosed
US-7723286-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2010-05-25 US disclosed
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA 2009-07-16 US disclosed
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 EP disclosed
US-20040220074-A1 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2004-11-04 US disclosed
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP disclosed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 WO disclosed
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-0946556-A4 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES LILLY CO ELI (US) 2001-07-04 EP disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-0946556-A1 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998027093-A1 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 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 (2 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-20040220074-A1 Compounds for a controlled release of active molecules ACLY, PTGES, NOTUM ALDH1A1 355/4885RAB9A 4635/4885NPC1 1909/4885
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES ACLY, PTGES, PPOX ALDH1A1 315/4885RAB9A 4473/4885NPC1 1820/4885

“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.