SCHEMBL4589513

SCHEMBL4589513

[CH2]CN(C)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 6/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 4/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
FFAR1 O14842 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CASP3 P42574 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
SCHEMBL10263936 0.82 KMT2A (0.57) SMN1; SMN2KDM4EMAPTKMT2ALMNA
SCHEMBL3274174 0.82 MAPT (0.55) SMN1; SMN2KDM4EMAPTLMNAHSD17B10
SCHEMBL9776469 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMAPTKMT2ALMNA
SCHEMBL3483110 0.80 CCR5 (0.53) KDM4EMAPTKMT2ALMNAMEN1
SCHEMBL19075228 0.77 KMT2A (0.66) SMN1; SMN2KDM4EMAPTKMT2ALMNA
SCHEMBL18867934 0.77 LMNA (0.59) SMN1; SMN2KMT2ALMNATSHRMAPK1
SCHEMBL642787 0.77 LMNA (0.59) SMN1; SMN2KMT2ALMNATSHRMAPK1
SCHEMBL22590675 0.77 PYCR1 (0.49) SMN1; SMN2KDM4EMAPTKMT2ALMNA
SCHEMBL20245163 0.77 KMT2A (0.54) SMN1; SMN2KDM4EMAPTKMT2ALMNA
SCHEMBL6501947 0.77 KMT2A (0.63) SMN1; SMN2KDM4EKMT2ALMNAMEN1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
EP-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
EP-1660089-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MYOCARDITIS SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-31 EP disclosed
US-6977258-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-20 US disclosed
US-6972290-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-06 US disclosed
WO-2005079769-A2 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 US disclosed
US-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 US disclosed
US-6573266-B1 Compounds used for treating multitiple sclerosis and encephalomyelitis SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-6555537-B2 Inhibit activity of chemokines, macrophage inflammatory protein-1 (MIP-1 alpha) and RANTES; 1-((4-chlorophenoxy)methyl)-carbonyl-2-methyl-4-(4-fluorobenzyl)piperazine for example SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6541476-B1 Treating multiple sclerosis or encephalomyelitis in a human SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-6534509-B1 Derivatives are useful as anti-inflammatory agents. This invention is also directed to pharmacetutical compostions for inflammation SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 EP disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 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 (6 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-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885KDM4E 1780/4885MAPT 3514/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885KDM4E 1780/4885MAPT 3514/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 SMN1; SMN2 4250/4885KDM4E 2161/4885MAPT 4785/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885KDM4E 1780/4885MAPT 3514/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885KDM4E 1780/4885MAPT 3514/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 SMN1; SMN2 4648/4885KDM4E 1071/4885MAPT 2362/4885

“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.