SCHEMBL2195902

SCHEMBL2195902

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.45
MMP2 P08253 9/20 0.45
MMP1 P03956 7/20 0.45
MMP9 P14780 2/20 0.45
MMP7 P09237 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP14 P50281 1/20 0.40
SOS1 Q07889 1/20 0.39
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
AR P10275 3/20 0.38

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) MMP13MMP2MMP1MMP9MMP14
SCHEMBL2194245 0.89 MMP13 (0.46) MMP13MMP2MMP1ALDH1A1POLB
SCHEMBL1133818 0.89 MMP13 (0.44) MMP13MMP2MMP1MMP9ALDH1A1
SCHEMBL2197069 0.81 MMP13 (0.39) MMP13MMP2MMP1MMP7ALDH1A1
SCHEMBL7398402 0.80 POLB (0.43) MMP13MMP2MMP1MMP9ALDH1A1
SCHEMBL6932753 0.73 KMT2A (0.48) ALDH1A1POLBSMN1; SMN2GAAKMT2A
SCHEMBL26117108 0.73 KMT2A (0.56) MMP13MMP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2195062 0.73 ALDH1A1 (0.46) MMP13MMP2MMP1MMP9MMP7
SCHEMBL1133836 0.72 MMP13 (0.46) MMP13MMP2MMP1MMP9MMP7
SCHEMBL2195059 0.72 SMN1; SMN2 (0.49) MMP13MMP2MMP1MMP9MMP7

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 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.