SCHEMBL4588282

SCHEMBL4588282

[CH2]OC(=O)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GRM5 P41594 4/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PAM P19021 1/20 0.43
SLC1A1 P43005 1/20 0.41
CSNK1D P48730 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL11632800 0.84 TSHR (0.56) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL5267255 0.83 TSHR (0.50) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL419807 0.82 ALDH1A1 (0.66) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL7720076 0.82 TSHR (0.58) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL4643563 0.81 TSHR (0.48) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL4588876 0.81 TDP1 (0.50) TSHRALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL21190235 0.81 TSHR (0.52) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL1171919 0.81 TSHR (0.52) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL4644597 0.80 TSHR (0.47) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL27461846 0.80 TSHR (0.56) TSHRALDH1A1MAPK1L3MBTL1GRM5

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
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-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 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
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO 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 (5 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-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TSHR 4777/4885ALDH1A1 465/4885MAPK1 3810/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 TSHR 1639/4885ALDH1A1 1361/4885MAPK1 882/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TSHR 4777/4885ALDH1A1 465/4885MAPK1 3810/4885
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma CCL2, CCL11, CCL5 TSHR 2958/4885ALDH1A1 974/4885MAPK1 962/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 TSHR 3534/4885ALDH1A1 306/4885MAPK1 3446/4885

“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.