SCHEMBL27907

SCHEMBL27907

Cc1ccc(S(=O)(=O)OCCC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 5/20 0.53
HSD11B1 P28845 1/20 0.47
NPC1 O15118 1/20 0.47
TNF P01375 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 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
SCHEMBL27875 0.94 MAPT (0.51) MAPTALDH1A1HSD11B1NPC1TNF
SCHEMBL28741 0.89 MAPT (0.55) MAPTALDH1A1HSD11B1NPC1TNF
SCHEMBL3209684 0.83 ALDH1A1 (0.52) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL12508246 0.83 ALDH1A1 (0.48) MAPTALDH1A1HSD11B1MEN1KMT2A
SCHEMBL30981122 0.79 MAPT (0.46) MAPTALDH1A1HSD11B1NPC1TNF
SCHEMBL27906 0.79 MAPT (0.54) MAPTALDH1A1HSD11B1NPC1TNF
SCHEMBL27874 0.78 MAPT (0.51) MAPTALDH1A1NPC1TNFRAB9A
SCHEMBL9674450 0.78 CYP2D6 (0.56) ALDH1A1POLBKMT2AHTT
SCHEMBL24598033 0.78 CRBN (0.41) MAPTHSD11B1MEN1KMT2ALMNA
SCHEMBL244134 0.78 CYP2D6 (0.43) ALDH1A1MEN1KMT2A

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 8 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
CN-102341385-B Piperazine compound capable of inhibiting prostaglandin d synthase TAIHO PHARMACEUTICAL CO LTD 2014-01-15 CN disclosed
CN-102341385-A Piperazine compound capable of inhibiting prostaglandin d synthase TAIHO PHARMACEUTICAL CO LTD 2012-02-01 CN 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 360/4885HSD11B1 105/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS MAPT 4854/4885ALDH1A1 257/4885HSD11B1 141/4885

“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.