SCHEMBL27906

SCHEMBL27906

Cc1ccc(S(=O)(=O)OC(C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
ALDH1A1 P00352 6/20 0.54
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
SIRT6 Q8N6T7 2/20 0.45
ADRB1 P08588 1/20 0.45
POLB P06746 2/20 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
HSD11B1 P28845 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL27874 0.88 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL28741 0.81 MAPT (0.55) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL27907 0.79 MAPT (0.53) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL22171340 0.77 SIRT6 (0.59) MAPTALDH1A1LMNASMN1; SMN2SIRT6
SCHEMBL27875 0.77 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL3454507 0.77 CYP2D6 (0.44) ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL29103 0.76 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL12240580 0.75 SIRT6 (0.74) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL14780181 0.74 TSHR (0.45) ALDH1A1SMN1; SMN2HTTPOLBKMT2A
SCHEMBL4578793 0.74 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2HTT

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 360/4885LMNA 2857/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS MAPT 4854/4885ALDH1A1 257/4885LMNA 3580/4885

“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.