SCHEMBL12244643

SCHEMBL12244643

Cn1cc(C[C@H](NS(=O)(=O)c2ccc(C#Cc3ccc(C(F)(F)F)cc3)s2)C(=O)O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.58
MMP2 P08253 15/20 0.58
ADAM17 P78536 3/20 0.50
MMP3 P08254 3/20 0.50
MMP13 P45452 1/20 0.50
MMP1 P03956 2/20 0.46
MMP8 P22894 2/20 0.46
MMP14 P50281 2/20 0.46
MMP25 Q9NPA2 2/20 0.46

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
SCHEMBL12245543 1.00 MMP9 (0.58) MMP9MMP2ADAM17MMP3MMP13
SCHEMBL15849271 0.92 MMP9 (0.62) MMP9MMP2ADAM17MMP3MMP13
SCHEMBL15849272 0.92 MMP9 (0.62) MMP9MMP2ADAM17MMP3MMP13
SCHEMBL12246386 0.91 MMP9 (0.60) MMP9MMP2ADAM17MMP3MMP13
SCHEMBL12244633 0.91 MMP9 (0.60) MMP9MMP2ADAM17MMP3MMP13
SCHEMBL13272370 0.90 MMP9 (0.71) MMP9MMP2ADAM17MMP3MMP13
SCHEMBL15849270 0.90 MMP9 (0.71) MMP9MMP2ADAM17MMP3MMP13
SCHEMBL15849301 0.90 MMP9 (0.50) MMP9MMP2ADAM17MMP3MMP13
SCHEMBL15849295 0.90 MMP9 (0.50) MMP9MMP2ADAM17MMP3MMP13
SCHEMBL15849287 0.88 MMP9 (0.52) MMP9MMP2ADAM17MMP3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382206-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES AQUILUS PHARMACEUTICALS INC (US) 2016-03-23 EP disclosed
US-8765953-B2 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20110257222-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES AQUILUS PHARMACEUTICALS, INC. (US) 2011-10-20 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 (1 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-20110257222-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES MMP3, MMP9, MMP10 MMP9 2/4885MMP2 11/4885ADAM17 77/4885

“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.