SCHEMBL3088488

SCHEMBL3088488

O=C(S)N1CCN(C(=O)c2cccc(F)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
USP2 O75604 1/20 0.54
DPP4 P27487 1/20 0.51
DPP9 Q86TI2 1/20 0.51
GNE Q9Y223 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
LANCL2 Q9NS86 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.41
SCN9A Q15858 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD11B1 P28845 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL3075269 0.86 GNE (0.55) SMN1; SMN2MAPK1USP2DPP4DPP9
SCHEMBL3088489 0.83 GNE (0.53) SMN1; SMN2MAPK1USP2DPP4DPP9
SCHEMBL3086677 0.81 HRH4 (0.50) SMN1; SMN2MAPK1USP2DPP4DPP9
SCHEMBL13450575 0.79 HSD11B1 (0.60) SMN1; SMN2MAPK1USP2DPP4DPP9
SCHEMBL12120506 0.79 DPP4 (0.55) SMN1; SMN2MAPK1USP2DPP4DPP9
SCHEMBL3081021 0.77 POLB (0.51) SMN1; SMN2MAPK1USP2DPP4DPP9
SCHEMBL13148292 0.76 KMT2A (0.56) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1
SCHEMBL8151473 0.76 HTR1A (0.46) SMN1; SMN2MAPK1USP2DPP4DPP9
SCHEMBL3080702 0.75 FAAH (0.46) MAPK1TSHRLMNAKMT2AALDH1A1
SCHEMBL28491 0.73 HPGDS (0.64) SMN1; SMN2LMNAKMT2A

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 SMN1; SMN2 1866/4885MAPK1 1990/4885USP2 3860/4885

“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.