SCHEMBL2888451

SCHEMBL2888451

CSCCCN1CCN(S(=O)(=O)c2cccs2)C(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.40
UBE2N P61088 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 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
SCHEMBL2887864 0.88 MMP1 (0.48) POLBALDH1A1RAB9AUBE2NPKM
SCHEMBL1380196 0.87 MMP1 (0.50) POLBALDH1A1RAB9AUBE2NPKM
SCHEMBL2882601 0.87 MMP1 (0.50) POLBALDH1A1RAB9AUBE2NPKM
SCHEMBL2888684 0.87 MMP1 (0.50) POLBALDH1A1RAB9AUBE2NPKM
SCHEMBL12995467 0.81 POLB (0.53) POLBALDH1A1RAB9AUBE2NPKM
SCHEMBL3753162 0.78 PKM (0.61) POLBALDH1A1RAB9APKMSMN1; SMN2
SCHEMBL1381865 0.77 MAPT (0.61) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL12995399 0.77 MAPT (0.61) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL1381814 0.77 POLB (0.53) POLBALDH1A1RAB9AUBE2NPKM
SCHEMBL2886098 0.76 ALDH1A1 (0.43) POLBALDH1A1RAB9AUBE2NPKM

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 POLB 1669/4885ALDH1A1 568/4885RAB9A 4722/4885
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 POLB 1669/4885ALDH1A1 568/4885RAB9A 4722/4885
US-20060223813-A1 Piperazine Derivatives and Methods of Use CATSPER1, H1-5, GNRHR POLB 1811/4885ALDH1A1 1182/4885RAB9A 3760/4885

“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.