Sugi Predict

Sugi Predict / Compounds / SCHEMBL5064260

SCHEMBL5064260

SCHEMBL5064260

COC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ KCNQ4 P56696 3/20 0.41
▸ KCNQ5 Q9NR82 3/20 0.41
▸ CACNA1B Q00975 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.39
▸ PSEN1 P49768 3/20 0.38
▸ PSEN2 P49810 3/20 0.38
▸ APH1B Q8WW43 3/20 0.38
▸ NCSTN Q92542 3/20 0.38
▸ APH1A Q96BI3 3/20 0.38
▸ PSENEN Q9NZ42 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL6075777 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL6835198 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5060017 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5055741 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL7147027 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5064577 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL27603663 0.90 CTSS (0.47) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5059303 0.89 MEN1 (0.43) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL27713373 0.89 MEN1 (0.43) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL4187135 0.89 KLK5 (0.49) CTSSCTSKMEN1KMT2AKLK5

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 — — US disclosed
CN-101090723-A Piperazine urea derivatives for the treatment of endometriosis SCHERING AG (DE) 2007-12-19 — — CN disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 — — US disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 — — US 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
EP-1254899-B1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2005-05-25 — — EP 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 (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-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CTSS 769/4885CTSK 693/4885TSHR 4777/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CTSS 769/4885CTSK 693/4885TSHR 4777/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CTSS 769/4885CTSK 693/4885TSHR 4777/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CTSS 769/4885CTSK 693/4885TSHR 4777/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 CTSS 2332/4885CTSK 1688/4885TSHR 3534/4885

“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.