SCHEMBL2887777

SCHEMBL2887777

CCCCCCN1CCN(S(=O)(=O)c2ccccc2F)C(C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
HTR7 P34969 4/20 0.45
KCNH2 Q12809 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTR1A P08908 1/20 0.41
TSHR P16473 1/20 0.40
CHRM3 P20309 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL2886117 0.86 MMP1 (0.62) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2890129 0.83 MMP1 (0.62) MMP1MMP3MMP7MMP9MMP13
SCHEMBL27563756 0.81 L3MBTL1 (0.47) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2882601 0.79 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2888684 0.79 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL1380196 0.79 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2887864 0.78 MMP1 (0.48) MMP1MMP3MMP7MMP9MMP13
SCHEMBL14313511 0.77 CHRNB2 (0.52) HTR7KDM4EPOLBL3MBTL1CHRNB2
SCHEMBL2888598 0.75 MMP3 (0.46) MMP1MMP3MMP7MMP9MMP13
SCHEMBL1379905 0.74 MMP1 (0.45) MMP1MMP3MMP7MMP9MMP13

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 16 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
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
EP-1542993-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2012-12-19 EP 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
EP-1542993-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE Applied Research Systems ARS Holding N.V. (AN) 2005-06-22 EP disclosed
WO-2004031182-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-04-15 WO 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.