SCHEMBL3088489

SCHEMBL3088489

O=C(c1cccc(F)n1)N1CCN(C(O)=S)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.52
USP2 O75604 1/20 0.52
DPP4 P27487 1/20 0.50
DPP9 Q86TI2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
LANCL2 Q9NS86 1/20 0.42
TSHR P16473 1/20 0.42
SCN9A Q15858 3/20 0.40
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SCD O00767 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD11B1 P28845 1/20 0.37
RAB9A P51151 1/20 0.36

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 0.88 GNE (0.55) GNESMN1; SMN2MAPK1USP2DPP4
SCHEMBL3088488 0.83 SMN1; SMN2 (0.54) GNESMN1; SMN2MAPK1USP2DPP4
SCHEMBL3086677 0.80 HRH4 (0.50) GNESMN1; SMN2MAPK1USP2DPP4
SCHEMBL13450575 0.78 HSD11B1 (0.60) GNESMN1; SMN2MAPK1USP2DPP4
SCHEMBL12120506 0.77 DPP4 (0.55) GNESMN1; SMN2MAPK1USP2DPP4
SCHEMBL3081021 0.76 POLB (0.51) GNESMN1; SMN2MAPK1USP2DPP4
SCHEMBL13148292 0.75 KMT2A (0.56) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL8151473 0.72 HTR1A (0.46) GNESMN1; SMN2MAPK1USP2DPP4
SCHEMBL28491 0.72 HPGDS (0.64) SMN1; SMN2LMNAKMT2A
SCHEMBL3080704 0.72 FAAH (0.44) MAPK1TSHRSCN9AALDH1A1KDM4E

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 GNE 1078/4885SMN1; SMN2 1866/4885MAPK1 1990/4885

“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.