SCHEMBL2194247

SCHEMBL2194247

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MMP13 P45452 6/20 0.48
MMP1 P03956 4/20 0.48
MMP8 P22894 4/20 0.48
MMP9 P14780 4/20 0.48
MMP2 P08253 3/20 0.48
MMP14 P50281 3/20 0.48
MMP16 P51512 2/20 0.48
NR1D1 P20393 1/20 0.47
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.41
DAGLA Q9Y4D2 1/20 0.40
MMP7 P09237 1/20 0.40
MMP12 P39900 1/20 0.40
PTGES O14684 1/20 0.40
MMP3 P08254 2/20 0.40

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
SCHEMBL1133773 0.88 LMNA (0.59) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL1133821 0.87 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL2195059 0.87 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL1133895 0.81 MMP2 (0.69) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL2197073 0.79 NR1D1 (0.48) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL1134049 0.77 ALDH1A1 (0.41) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL7452484 0.75 KEAP1 (0.47) MMP13MMP1MMP8NR1D1ALDH1A1
SCHEMBL5740916 0.75 MAPT (0.54) SMN1; SMN2HTTMMP13MMP1MMP8
SCHEMBL1134063 0.74 MMP8 (0.83) MMP13MMP1MMP8MMP9MMP2
SCHEMBL7243688 0.73 MMP1 (0.46) SMN1; SMN2MMP13MMP1MMP8MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524194-B2 Radiolabelled MMP selective compounds ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2013-09-03 US disclosed
US-20110171133-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2011-07-14 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-20110171133-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS MMP1, MMP3, MMP9 SMN1; SMN2 4273/4885LMNA 1567/4885HTT 3092/4885

“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.