SCHEMBL2209026

SCHEMBL2209026

CSc1ccccc1C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.44
▸ CXCL8 P10145 2/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 2/20 0.44
▸ MMP12 P39900 2/20 0.44
▸ MMP13 P45452 2/20 0.44
▸ MMP14 P50281 2/20 0.44
▸ MMP16 P51512 2/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ PTGS1 P23219 4/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ AKR1C3 P42330 3/20 0.41
▸ AKR1C2 P52895 3/20 0.41
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CXCR1 P25024 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
SCHEMBL16556233 0.87 MMP2 (0.41) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL7386202 0.85 CXCL8 (0.45) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL9493980 0.82 SRC (0.45) KMT2AMEN1GAAALDH1A1PKM
SCHEMBL6713912 0.81 CA12 (0.53) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL6723569 0.81 CA12 (0.53) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL9235115 0.81 SIRT1 (0.47) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL2204495 0.81 PTGS2 (0.56) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL6829891 0.81 LMNA (0.47) KMT2AMEN1GAAALDH1A1PKM
SCHEMBL18797642 0.79 PTGS2 (0.50) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL14097981 0.78 MMP2 (0.39) PTGS2CXCL8MMP2MMP9MMP8

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
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
EP-2146962-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2010-01-27 — — EP 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
WO-2008125337-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 — — 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-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 PTGS2 227/4885CXCL8 913/4885MMP2 3298/4885
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 PTGS2 227/4885CXCL8 913/4885MMP2 3298/4885

“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.

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