SCHEMBL2888089

SCHEMBL2888089

CCCCCCN1CCN(S(=O)(=O)c2cccs2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.63
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.54
KDM4E B2RXH2 2/20 0.53
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.51
TSHR P16473 3/20 0.51
GAA P10253 1/20 0.51
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
JAK2 O60674 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL14314684 1.00 PKM (0.63) PKMRAB9ANPC1KDM4ELMNA
SCHEMBL14314685 0.99 PKM (0.65) PKMRAB9ANPC1KDM4ELMNA
SCHEMBL14968229 0.83 PKM (0.75) PKMRAB9ANPC1KDM4ELMNA
SCHEMBL3753162 0.83 PKM (0.61) PKMRAB9ANPC1KDM4ELMNA
SCHEMBL9597683 0.81 RAB9A (0.73) PKMRAB9ANPC1LMNASMN1; SMN2
SCHEMBL9597306 0.81 PKM (0.71) PKMRAB9ANPC1LMNASMN1; SMN2
SCHEMBL14458263 0.81 MEN1 (0.60) PKMRAB9ANPC1KDM4ELMNA
SCHEMBL7130436 0.78 POLB (0.59) PKMKDM4ELMNASMN1; SMN2TSHR
SCHEMBL10724287 0.78 POLB (0.59) PKMKDM4ELMNASMN1; SMN2TSHR
SCHEMBL10721938 0.78 POLB (0.59) PKMKDM4ELMNASMN1; SMN2TSHR

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 1422/4885RAB9A 4722/4885NPC1 1277/4885
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 PKM 1422/4885RAB9A 4722/4885NPC1 1277/4885
US-20060223813-A1 Piperazine Derivatives and Methods of Use CATSPER1, H1-5, GNRHR PKM 2156/4885RAB9A 3760/4885NPC1 1043/4885

“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.