SCHEMBL27874

SCHEMBL27874

CCC(OS(=O)(=O)c1ccc(C)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 5/20 0.51
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.43
TNF P01375 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
SIRT6 Q8N6T7 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL27906 0.88 MAPT (0.54) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL28741 0.80 MAPT (0.55) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL27907 0.78 MAPT (0.53) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL27875 0.77 MAPT (0.51) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL12240580 0.73 SIRT6 (0.74) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL27355 0.73 MAPT (0.60) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL30981122 0.73 MAPT (0.46) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL22171340 0.72 SIRT6 (0.59) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL7293241 0.72 MAPT (0.62) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL27194288 0.71 MAPT (0.61) MAPTALDH1A1POLBLMNASMN1; SMN2

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
EP-2407466-B1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 EP disclosed
US-9062035-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-8865714-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-21 US disclosed
US-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-05-08 US disclosed
EP-2407466-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE Taiho Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-12-29 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 (2 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-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGDR, PTGS1, PTGDR2 MAPT 4854/4885ALDH1A1 360/4885POLB 1998/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS MAPT 4854/4885ALDH1A1 257/4885POLB 1827/4885

“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.