SCHEMBL28741

SCHEMBL28741

Cc1ccc(S(=O)(=O)OCC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 5/20 0.55
HRH3 Q9Y5N1 1/20 0.49
F2 P00734 1/20 0.48
NPC1 O15118 1/20 0.48
TNF P01375 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD11B1 P28845 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46

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
SCHEMBL27907 0.89 MAPT (0.53) MAPTALDH1A1HRH3NPC1TNF
SCHEMBL30981122 0.88 MAPT (0.46) MAPTALDH1A1F2NPC1TNF
SCHEMBL27875 0.87 MAPT (0.51) MAPTALDH1A1HRH3F2NPC1
SCHEMBL29482875 0.84 MEN1 (0.48) MAPTALDH1A1MEN1KMT2AHSD11B1
SCHEMBL18280038 0.84 ALDH1A1 (0.51) MAPTALDH1A1F2RAB9AMEN1
SCHEMBL27906 0.81 MAPT (0.54) MAPTALDH1A1NPC1TNFRAB9A
SCHEMBL3125630 0.81 FFAR1 (0.46) MAPTALDH1A1F2NPC1TNF
SCHEMBL27874 0.80 MAPT (0.51) MAPTALDH1A1NPC1TNFRAB9A
SCHEMBL3568690 0.80 MAPT (0.61) MAPTALDH1A1HRH3POLBMEN1
SCHEMBL25846026 0.79 POLB (0.59) MAPTALDH1A1HRH3NPC1TNF

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 360/4885HRH3 420/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS MAPT 4854/4885ALDH1A1 257/4885HRH3 410/4885

“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.