Sugi Predict

Sugi Predict / Compounds / SCHEMBL5055898

SCHEMBL5055898

SCHEMBL5055898

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.68
▸ MEN1 O00255 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CA12 O43570 2/20 0.55
▸ CA7 P43166 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ CA14 Q9ULX7 2/20 0.55
▸ HPGD P15428 1/20 0.51
▸ MAOB P27338 3/20 0.49
▸ MAOA P21397 2/20 0.49
▸ SCN9A Q15858 2/20 0.49
▸ HTT P42858 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL5065975 1.00 TSHR (0.68) TSHRMEN1GAAKMT2ACA12
SCHEMBL6075832 1.00 TSHR (0.68) TSHRMEN1GAAKMT2ACA12
SCHEMBL29176960 0.87 TSHR (0.54) TSHRMEN1GAAKMT2ACA12
SCHEMBL4676199 0.85 TSHR (0.50) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL17604964 0.85 MAOB (0.61) TSHRHPGDMAOBMAOASCN9A
SCHEMBL17604966 0.85 MAOB (0.61) TSHRHPGDMAOBMAOASCN9A
SCHEMBL5066246 0.84 GAA (0.70) TSHRMEN1GAAKMT2ACA12
SCHEMBL27693587 0.84 GAA (0.70) TSHRMEN1GAAKMT2ACA12
SCHEMBL5060615 0.84 GAA (0.70) TSHRMEN1GAAKMT2ACA12
Hydrochloric Acid SCHEMBL5967403 0.83 MAOB (0.60) TSHRHPGDMAOBMAOASCN9A

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 23 patents — showing the first 20. 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-20040058932-A1 Novel piperazine derivatives PFIZER INC. 2004-03-25 — — US disclosed
US-6649611-B2 Potent and selective inhibitors of chemokine binding to its receptor CCR1 found on inflammatory and immunomodulatory cells (preferably leukocytes and lymphocytes). PFIZER, INC. 2003-11-18 — — US disclosed
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 — — 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
EP-1268455-A2 PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-01-02 — — 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
WO-2001072728-A9 NOVEL PIPERAZINE DERIVATIVES PFIZER PROD INC (US) 2002-10-10 — — WO disclosed
US-20020107255-A1 Novel piperazine derivatives PFIZER PRODUCTS INC. 2002-08-08 — — US disclosed
WO-2001072728-A2 NOVEL PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-10-04 — — WO 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-20040058932-A1 Novel piperazine derivatives IL5, IL17A, CCR2 TSHR 3476/4885MEN1 4741/4885GAA 4620/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TSHR 4777/4885MEN1 4795/4885GAA 1892/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TSHR 4777/4885MEN1 4795/4885GAA 1892/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES TSHR 4777/4885MEN1 4795/4885GAA 1892/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 TSHR 3534/4885MEN1 3877/4885GAA 3794/4885
US-20020107255-A1 Novel piperazine derivatives IL5, IL17A, CCR2 TSHR 3476/4885MEN1 4741/4885GAA 4620/4885

“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.