SCHEMBL7310016

SCHEMBL7310016

CN(Cc1ccc(-c2ccc(C#N)cc2)cc1)S(=O)(=O)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.55
LSS P48449 1/20 0.47
MMP13 P45452 4/20 0.45
MMP12 P39900 1/20 0.45
NSD2 O96028 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
STAT3 P40763 1/20 0.43
MMP2 P08253 4/20 0.43
MMP1 P03956 2/20 0.42
MMP7 P09237 2/20 0.42
MMP9 P14780 2/20 0.42
ADAMTS4 O75173 1/20 0.42
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
POLB P06746 1/20 0.40
AR P10275 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL7475586 0.78 MMP3 (0.60) MMP3TSHRPOLB
SCHEMBL21491418 0.74 NSD2 (0.45) LSSNSD2TAS2R14TSHRPOLB
SCHEMBL5118098 0.73 NSD2 (0.63) NSD2TAS2R14HTTTMEM97SIGMAR1
SCHEMBL14183081 0.72 POLB (0.59) MMP13MMP12NSD2TAS2R14HTT
SCHEMBL14136361 0.72 TAS2R14 (0.53) LSSTAS2R14STAT3HTTTSHR
SCHEMBL8185095 0.71 HTT (0.62) MMP3MMP13MMP12MMP2HTT
SCHEMBL2338967 0.70 MAPT (0.58) MMP13MMP12TAS2R14MMP2HTT
SCHEMBL7464731 0.69 SNCA (0.58) MMP13MMP12NSD2TAS2R14HTT
SCHEMBL7401773 0.69 HTT (0.51) MMP13MMP12NSD2TAS2R14HTT
SCHEMBL5317577 0.68 NSD2 (0.61) MMP3NSD2TAS2R14MMP2HTT

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
EP-0931788-B1 Metalloprotease inhibitors PFIZER LTD (GB) 2002-11-06 EP disclosed
US-6090852-A MATRIX METALLOPROTEASE INHIBITOR PFIZER INC (US) 2000-07-18 US disclosed
EP-0931788-A2 Metalloprotease inhibitors Pfizer Limited (GB) 1999-07-28 EP disclosed