SCHEMBL2208256

SCHEMBL2208256

CC(C(=O)O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.62
MMP9 P14780 4/20 0.62
MMP8 P22894 4/20 0.62
MMP12 P39900 4/20 0.62
MMP13 P45452 4/20 0.62
MMP14 P50281 4/20 0.62
MMP16 P51512 4/20 0.62
MMP1 P03956 2/20 0.62
MMP3 P08254 3/20 0.54
BCAT2 O15382 1/20 0.44
PTGS2 P35354 7/20 0.43
CXCL8 P10145 1/20 0.43
PTGS1 P23219 4/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
ITGAV P06756 1/20 0.40
ELANE P08246 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CXCR1 P25024 1/20 0.38

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
SCHEMBL15303318 0.85 MMP2 (0.62) MMP2MMP9MMP8MMP12MMP13
SCHEMBL7351490 0.84 MMP2 (0.60) MMP2MMP9MMP8MMP12MMP13
SCHEMBL16896758 0.84 MMP2 (0.45) MMP2MMP9MMP8MMP12MMP13
SCHEMBL31027970 0.83 MMP2 (0.49) MMP2MMP9MMP8MMP12MMP13
SCHEMBL30153520 0.83 MMP2 (0.49) MMP2MMP9MMP8MMP12MMP13
SCHEMBL9228368 0.82 MMP2 (0.82) MMP2MMP9MMP8MMP12MMP13
Hydrochloric Acid SCHEMBL28765687 0.82 MMP2 (0.48) MMP2MMP9MMP8MMP12MMP13
SCHEMBL2204495 0.80 PTGS2 (0.56) MMP2MMP9MMP8MMP12MMP13
SCHEMBL28748849 0.79 HTR2A (0.49) MMP2MMP9MMP8MMP12MMP13
SCHEMBL1106525 0.78 L3MBTL1 (0.52) MMP2MMP9MMP8MMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791268-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-29 US disclosed
US-8642775-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
US-20110184020-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-07-28 US disclosed
US-20080262039-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2008-10-23 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 (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-20080262039-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions TRPV1, TRPV2, TRPV3 MMP2 3298/4885MMP9 2860/4885MMP8 1240/4885
US-20110184020-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions TRPV1, TRPV2, TRPV3 MMP2 3298/4885MMP9 2860/4885MMP8 1240/4885

“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.