SCHEMBL3532245

SCHEMBL3532245

CC(C)c1ccc(S(N)(=O)=O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.51
CA1 P00915 13/20 0.44
CA2 P00918 13/20 0.44
CA12 O43570 10/20 0.44
CA9 Q16790 9/20 0.44
CA6 P23280 5/20 0.44
CA7 P43166 5/20 0.44
CA4 P22748 4/20 0.44
CA5A P35218 4/20 0.44
CA14 Q9ULX7 4/20 0.44
CA5B Q9Y2D0 4/20 0.44
CA3 P07451 3/20 0.44
CA13 Q8N1Q1 4/20 0.43
CISD1 Q9NZ45 1/20 0.43
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 2/20 0.39

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
SCHEMBL13947629 0.85 CA1 (0.49) CA1CA2CA12CA9CA6
SCHEMBL15114555 0.83 TRPV4 (0.53) TRPV4ALDH1A1GAALMNAL3MBTL1
SCHEMBL2926545 0.83 TRPV4 (0.73) TRPV4ALDH1A1GAALMNAKDM4E
SCHEMBL4629169 0.79 PDIA6 (0.49) CA1CA2CA12CA9ALDH1A1
SCHEMBL7952694 0.79 ALDH1A1 (0.55) CA1CA2CA12CA9CA6
SCHEMBL23598880 0.78 PTGS1 (0.41) TRPV4CA1CA2CA12CA9
SCHEMBL16259892 0.77 TRPV4 (0.47) TRPV4ALDH1A1LMNAKDM4EMAPT
SCHEMBL2393783 0.77 CA1 (0.42) TRPV4CA1CA2CA12CA9
SCHEMBL23901714 0.76 ALDH1A1 (0.39) CA1CA2CA12CA9ALDH1A1
SCHEMBL16259574 0.76 TRPV4 (0.46) TRPV4ALDH1A1LMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
US-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease LABORATOIRES FOURNIER SA (FR) 2012-09-13 US disclosed
US-7728002-B2 Use of pyrrolopyridine compounds for activating PPAR receptors and treatment of conditions involving such receptors LABORATOIRES FOURNIER S.A. (FR) 2010-06-01 US disclosed
US-20090239856-A1 Use of Pyrrolopyridine Compounds for Activating PPAR Receptors and Treatment of Conditions Involving Such Receptors LABORATOIRES FOURNIER S.A. (FR) 2009-09-24 US disclosed
US-7557122-B2 Pyrrolopyridine compounds, method of making them and uses thereof LABORATOIRES FOURNIER S.A. (FR) 2009-07-07 US disclosed
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-08-21 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 (3 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-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease NCOR1, NR0B1, MTNR1A TRPV4 3516/4885CA1 4719/4885CA2 4693/4885
US-20090239856-A1 Use of Pyrrolopyridine Compounds for Activating PPAR Receptors and Treatment of Conditions Involving Such Receptors PPARD, PPARA, PPARG TRPV4 611/4885CA1 4506/4885CA2 3289/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP TRPV4 1084/4885CA1 4518/4885CA2 3468/4885

“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.