SCHEMBL1381814

SCHEMBL1381814

O=C(O)C1CN(C(=O)O)CCN1S(=O)(=O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
PKM P14618 8/20 0.48
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
UBE2N P61088 1/20 0.45

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
SCHEMBL12995467 0.87 POLB (0.53) POLBPKMALDH1A1SMN1; SMN2RAB9A
SCHEMBL4038593 0.85 ALDH1A1 (0.51) POLBPKMALDH1A1SMN1; SMN2HTT
SCHEMBL1383019 0.84 MMP1 (0.49) POLBPKMALDH1A1SMN1; SMN2HTT
SCHEMBL7226660 0.83 POLB (0.62) POLBPKMALDH1A1HPGDNPC1
SCHEMBL7226664 0.83 POLB (0.62) POLBPKMALDH1A1HPGDNPC1
SCHEMBL2886915 0.83 PKM (0.51) POLBPKMALDH1A1NPC1RAB9A
SCHEMBL3719656 0.82 POLB (0.61) POLBALDH1A1RAB9AUBE2N
SCHEMBL2881064 0.81 ALDH1A1 (0.62) POLBALDH1A1HTTHPGDNPC1
SCHEMBL1381360 0.80 MMP1 (0.52) PKMALDH1A1SMN1; SMN2RAB9A
SCHEMBL13050546 0.79 PKM (0.47) POLBPKMALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4713152-B2 2011-06-29 JP 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
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 1669/4885PKM 1422/4885ALDH1A1 568/4885
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 POLB 1669/4885PKM 1422/4885ALDH1A1 568/4885
US-20060223813-A1 Piperazine Derivatives and Methods of Use CATSPER1, H1-5, GNRHR POLB 1811/4885PKM 2156/4885ALDH1A1 1182/4885

“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.