SCHEMBL2194245

SCHEMBL2194245

CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)CS(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.46
MMP2 P08253 11/20 0.46
MMP1 P03956 6/20 0.46
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
GRK2 P25098 1/20 0.37
PPARG P37231 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL1133772 0.90 MMP13 (0.56) MMP13MMP2MMP1
SCHEMBL1133818 0.89 MMP13 (0.44) MMP13MMP2MMP1ALDH1A1POLB
SCHEMBL2195902 0.89 MMP13 (0.45) MMP13MMP2MMP1ALDH1A1POLB
SCHEMBL2197069 0.81 MMP13 (0.39) MMP13MMP2MMP1ALDH1A1POLB
SCHEMBL5908693 0.73 PLCG1 (0.47) ALDH1A1POLBSMN1; SMN2LMNAKMT2A
SCHEMBL1134049 0.72 ALDH1A1 (0.41) MMP13MMP2MMP1ALDH1A1POLB
SCHEMBL2194247 0.72 SMN1; SMN2 (0.49) MMP13MMP2MMP1ALDH1A1POLB
SCHEMBL19450297 0.72 MMP2 (0.56) MMP13MMP2MMP1ALDH1A1POLB
SCHEMBL14238298 0.72 PYCR1 (0.44) ALDH1A1SMN1; SMN2MEN1LMNAGAA
SCHEMBL7017241 0.71 KMT2A (0.54) MMP2ALDH1A1POLBMEN1LMNA

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 MMP13 11/4885MMP2 4/4885MMP1 1/4885

“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.