SCHEMBL2886098

SCHEMBL2886098

CCc1cocc1CN1CCN(S(=O)(=O)c2cccs2)C(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.40
RAD52 P43351 1/20 0.40
PKM P14618 1/20 0.39
UBE2N P61088 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 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
SCHEMBL14990739 0.86 RAB9A (0.44) ALDH1A1RAB9APOLBSMN1; SMN2LMNA
SCHEMBL2887864 0.80 MMP1 (0.48) ALDH1A1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL2888684 0.79 MMP1 (0.50) ALDH1A1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL2882601 0.79 MMP1 (0.50) ALDH1A1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL1380196 0.79 MMP1 (0.50) ALDH1A1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL1382417 0.78 MAPT (0.60) ALDH1A1RAB9APOLBSMN1; SMN2LMNA
SCHEMBL12995467 0.77 POLB (0.53) ALDH1A1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL2888451 0.76 POLB (0.43) ALDH1A1RAB9APOLBSMN1; SMN2LMNA
SCHEMBL1381814 0.75 POLB (0.53) ALDH1A1RAB9APOLBSMN1; SMN2PKM
SCHEMBL2886915 0.73 PKM (0.51) ALDH1A1RAB9APOLBLMNAPKM

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 15 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
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 ALDH1A1 568/4885RAB9A 4722/4885POLB 1669/4885
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 ALDH1A1 568/4885RAB9A 4722/4885POLB 1669/4885
US-20060223813-A1 Piperazine Derivatives and Methods of Use CATSPER1, H1-5, GNRHR ALDH1A1 1182/4885RAB9A 3760/4885POLB 1811/4885

“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.