SCHEMBL1379905

SCHEMBL1379905

CCCCCCN1CCN(S(=O)(=O)N(C)C)C(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
BCHE P06276 7/20 0.45
GUSB P08236 2/20 0.40
KCNH2 Q12809 1/20 0.39
EBP Q15125 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
GBA1 P04062 1/20 0.35

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
SCHEMBL2888598 0.83 MMP3 (0.46) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2886117 0.78 MMP1 (0.62) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2890129 0.76 MMP1 (0.62) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7540507 0.75 BCHE (0.46) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2882601 0.74 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2887777 0.74 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2888684 0.74 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL1380196 0.74 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2887864 0.72 MMP1 (0.48) MMP1MMP3MMP7MMP9MMP13
SCHEMBL19134546 0.69 S1PR1 (0.56) BCHEGUSBEBPSIGMAR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946227-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2015-02-03 US claimed
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2013-06-06 US claimed
EP-1542993-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2012-12-19 EP claimed
JP-4713152-B2 2011-06-29 JP claimed
US-20100305137-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2010-12-02 US claimed
US-7754722-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2010-07-13 US claimed
US-20060223813-A1 Piperazine Derivatives and Methods of Use MERCK SERONO SA (CH) 2006-10-05 US claimed
EP-1542993-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE Applied Research Systems ARS Holding N.V. (AN) 2005-06-22 EP claimed
WO-2004031182-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-04-15 WO claimed
US-8946227-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2015-02-03 US disclosed
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2013-06-06 US disclosed
US-20100305137-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-7754722-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2010-07-13 US disclosed
US-20060223813-A1 Piperazine Derivatives and Methods of Use MERCK SERONO SA (CH) 2006-10-05 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 (3 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-20100305137-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 MMP1 1946/4885MMP3 2049/4885MMP7 2485/4885
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 MMP1 1946/4885MMP3 2049/4885MMP7 2485/4885
US-20060223813-A1 Piperazine Derivatives and Methods of Use CATSPER1, H1-5, GNRHR MMP1 2763/4885MMP3 3308/4885MMP7 3778/4885

“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.