SCHEMBL2195231

SCHEMBL2195231

COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 1.00
MMP9 P14780 8/20 1.00
LMNA P02545 1/20 0.76
MMP3 P08254 3/20 0.72
MMP13 P45452 3/20 0.72
MMP1 P03956 1/20 0.72
MMP7 P09237 1/20 0.72
MMP8 P22894 1/20 0.72
HSD17B10 Q99714 1/20 0.63
MMP14 P50281 1/20 0.62
ADAMTS4 O75173 3/20 0.60
SLC1A3 P43003 1/20 0.59
SLC1A2 P43004 1/20 0.59
SLC1A1 P43005 1/20 0.59
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL2161452 0.88 MMP9 (0.92) MMP2MMP9MMP3MMP13MMP1
SCHEMBL5839717 0.88 MMP9 (0.92) MMP2MMP9MMP3MMP13MMP1
SCHEMBL2161549 0.88 MMP9 (0.92) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7669526 0.87 MMP2 (0.81) MMP2MMP9LMNAMMP3MMP13
SCHEMBL7668200 0.87 MMP2 (0.81) MMP2MMP9LMNAMMP3MMP13
SCHEMBL3089015 0.87 MMP2 (0.83) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7667857 0.87 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6424211 0.87 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7761532 0.84 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7761520 0.84 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1

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 MMP2 4/4885MMP9 3/4885LMNA 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.