SCHEMBL16089502

SCHEMBL16089502

CN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 15/20 1.00
MMP14 P50281 14/20 1.00
MMP13 P45452 12/20 1.00
MMP1 P03956 12/20 0.81
MMP3 P08254 12/20 0.81
MMP8 P22894 11/20 0.81
MMP2 P08253 5/20 0.81
MMP7 P09237 2/20 0.77
ADAM17 P78536 2/20 0.74
MMP10 P09238 2/20 0.63
KCNH2 Q12809 1/20 0.63

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
SCHEMBL6687124 0.89 MMP14 (1.00) MMP9MMP14MMP13MMP1MMP3
SCHEMBL5919470 0.87 MMP14 (1.00) MMP9MMP14MMP13MMP1MMP3
SCHEMBL16089519 0.86 MMP13 (0.81) MMP9MMP14MMP13MMP1MMP3
SCHEMBL5919298 0.86 MMP13 (0.81) MMP9MMP14MMP13MMP1MMP3
SCHEMBL15120517 0.86 MMP9 (0.93) MMP9MMP14MMP13MMP1MMP3
SCHEMBL5919245 0.86 MMP14 (1.00) MMP9MMP14MMP13MMP1MMP3
Hydrochloric Acid SCHEMBL6461484 0.86 MMP14 (0.98) MMP9MMP14MMP13MMP1MMP3
SCHEMBL6687918 0.86 MMP14 (0.94) MMP9MMP14MMP13MMP1MMP3
Hydrochloric Acid SCHEMBL6049826 0.85 MMP14 (0.98) MMP9MMP14MMP13MMP1MMP3
SCHEMBL6684445 0.85 MMP14 (0.96) MMP9MMP14MMP13MMP1MMP3

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
US-20150004097-A1 MMP-TARGETED THERAPEUTIC AND/OR DIAGNOSTIC NANOCARRIERS IKARIA THERAPEUTICS LLC 2015-01-01 US disclosed
US-8871189-B2 MMP-targeted therapeutic and/or diagnostic nanocarriers MALLINCKRODT LLC (US) 2014-10-28 US disclosed
US-20140271465-A1 MATRIX METALLOPROTEASE (MMP) TARGETED AGENTS FOR IMAGING AND THERAPY MALLINCKRODT LLC (US) 2014-09-18 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-20140271465-A1 MATRIX METALLOPROTEASE (MMP) TARGETED AGENTS FOR IMAGING AND THERAPY MMP3, MMP26, MMP10 MMP9 10/4885MMP14 9/4885MMP13 17/4885
US-20150004097-A1 MMP-TARGETED THERAPEUTIC AND/OR DIAGNOSTIC NANOCARRIERS MMP3, MMP9, MMP17 MMP9 2/4885MMP14 16/4885MMP13 9/4885

“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.