SCHEMBL2890913

SCHEMBL2890913

CCCCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 16/20 0.70
LMNA P02545 3/20 0.67
ALDH1A1 P00352 7/20 0.65
TSHR P16473 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
GAA P10253 4/20 0.62
USP2 O75604 1/20 0.62
HSD17B10 Q99714 2/20 0.61
HTT P42858 2/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55

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
SCHEMBL28819251 0.82 PKM (0.67) PKMLMNAALDH1A1TSHRNPSR1
SCHEMBL30754639 0.82 PKM (0.67) PKMLMNAALDH1A1TSHRNPSR1
SCHEMBL2886915 0.81 PKM (0.51) PKMLMNAALDH1A1TSHRNPSR1
SCHEMBL18711517 0.80 PKM (0.73) PKMALDH1A1KMT2A
SCHEMBL14314685 0.78 PKM (0.65) PKMLMNAALDH1A1TSHRNPSR1
SCHEMBL2888089 0.77 PKM (0.63) PKMLMNAALDH1A1TSHRNPSR1
SCHEMBL14314684 0.77 PKM (0.63) PKMLMNAALDH1A1TSHRNPSR1
SCHEMBL18701940 0.76 PKM (0.67) PKMALDH1A1KMT2A
SCHEMBL14968229 0.76 PKM (0.75) PKMLMNAALDH1A1TSHRNPSR1
SCHEMBL10722317 0.74 GAA (0.62) PKMLMNAALDH1A1GAAKMT2A

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 5 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 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 PKM 1422/4885LMNA 2431/4885ALDH1A1 568/4885
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 PKM 1422/4885LMNA 2431/4885ALDH1A1 568/4885
US-20060223813-A1 Piperazine Derivatives and Methods of Use CATSPER1, H1-5, GNRHR PKM 2156/4885LMNA 1814/4885ALDH1A1 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.