SCHEMBL2197073

SCHEMBL2197073

CCCC[Sn](CCCC)(CCCC)c1ccc(Oc2ccc(S(=O)(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 3/20 0.48
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
MMP16 P51512 1/20 0.39
MMP3 P08254 2/20 0.39
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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 0.81 LMNA (0.59) NR1D1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL1133821 0.79 SMN1; SMN2 (0.49) NR1D1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL2195059 0.79 SMN1; SMN2 (0.49) NR1D1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL2194247 0.79 SMN1; SMN2 (0.49) NR1D1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL1133931 0.78 ALDH1A1 (0.40) NR1D1SMN1; SMN2MMP1MMP2MMP13
SCHEMBL2197069 0.77 MMP13 (0.39) SMN1; SMN2LMNAHTTMMP1MMP2
SCHEMBL1133929 0.76 MMP2 (0.35) SMN1; SMN2MMP1MMP2MMP9MMP13
SCHEMBL1133926 0.76 SMN1; SMN2 (0.39) SMN1; SMN2LMNAHTTMMP1MMP2
SCHEMBL4769186 0.73 LMNA (0.56) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL8027578 0.73 NR1D1 (0.55) NR1D1SMN1; SMN2RAB9AMMP3PSEN1

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-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
EP-2119690-A1 Radiolabelled MMP selective compounds Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2009-11-18 EP 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 NR1D1 3243/4885SMN1; SMN2 4273/4885LMNA 1567/4885

“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.