SCHEMBL3089160

SCHEMBL3089160

O=C(c1cc(F)ccc1F)N1CCN(C(O)=S)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PARP1 P09874 3/20 0.45
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CPS1 P31327 1/20 0.43
CNR1 P21554 2/20 0.43

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
SCHEMBL3085217 0.87 CES2 (0.52) HDAC8CES2CES1KDM4EHTT
SCHEMBL3089158 0.83 HDAC8 (0.50) HDAC8CES2CES1KDM4EHTT
SCHEMBL29944128 0.82 TSHR (0.62) HDAC8CES2CES1TSHRALDH1A1
SCHEMBL3759053 0.80 HDAC8 (0.51) HDAC8CES2CES1KDM4ETSHR
SCHEMBL14602602 0.79 CNR1 (0.62) CES2CES1KDM4ETSHRALDH1A1
SCHEMBL31220894 0.79 PARP1 (0.63) HDAC8CES2CES1PARP1
SCHEMBL3087941 0.79 PARP1 (0.63) HDAC8CES2CES1PARP1
SCHEMBL3759056 0.79 HDAC8 (0.53) HDAC8CES2CES1KDM4ETSHR
SCHEMBL11888910 0.78 CNR1 (0.47) HDAC8CES2CES1KDM4ETSHR
SCHEMBL3093680 0.77 CA12 (0.59) KDM4EALDH1A1L3MBTL1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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 (1 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS HDAC8 2875/4885CES2 1445/4885CES1 2230/4885

“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.