Sugi Predict

Sugi Predict / Compounds / SCHEMBL5055699

SCHEMBL5055699

SCHEMBL5055699

COC[C@H](NCc1ccc(F)cc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ CA12 O43570 4/20 0.50
▸ CA7 P43166 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ CA14 Q9ULX7 4/20 0.50
▸ GAA P10253 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NOS2 P35228 2/20 0.47
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ HPGD P15428 1/20 0.44
▸ TLR2 O60603 2/20 0.43
▸ ANPEP P15144 1/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 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
SCHEMBL5063855 1.00 TSHR (0.52) TSHRHTTCA12CA7CA9
SCHEMBL27693412 1.00 TSHR (0.52) TSHRHTTCA12CA7CA9
SCHEMBL5066454 0.85 MEN1 (0.45) CA12CA7CA9CA14MEN1
SCHEMBL3955674 0.84 NOS3 (0.55) TSHRHTTCA12CA7CA9
SCHEMBL3955671 0.84 NOS3 (0.55) TSHRHTTCA12CA7CA9
SCHEMBL3957241 0.84 NOS3 (0.55) TSHRHTTCA12CA7CA9
SCHEMBL5055739 0.83 CA12 (0.55) TSHRHTTCA12CA7CA9
SCHEMBL27713355 0.80 HTT (0.73) TSHRHTTCA12CA7CA9
SCHEMBL5056110 0.80 HTT (0.73) TSHRHTTCA12CA7CA9
SCHEMBL5061098 0.80 HTT (0.73) TSHRHTTCA12CA7CA9

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 TSHR 4777/4885HTT 1362/4885CA12 4297/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TSHR 4777/4885HTT 1362/4885CA12 4297/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TSHR 4777/4885HTT 1362/4885CA12 4297/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TSHR 4777/4885HTT 1362/4885CA12 4297/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 TSHR 3534/4885HTT 2898/4885CA12 3712/4885

“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.