SCHEMBL3378213

SCHEMBL3378213

CC(C)(C)OC(=O)N[C@@H](CCCBr)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.51
▸ CTSS P25774 5/20 0.51
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ PPARA Q07869 4/20 0.44
▸ PPARG P37231 3/20 0.44
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ PPARD Q03181 2/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42

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
SCHEMBL3570961 1.00 CTSK (0.51) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3585273 1.00 CTSK (0.51) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1162230 0.95 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL27604122 0.95 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL16339563 0.94 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL16339562 0.94 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3783892 0.90 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2062991 0.90 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2062994 0.90 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL6837916 0.90 CTSK (0.56) CTSKCTSSMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493402-B2 Omega-aminoalkylamides of R-2-aryl-propionic acids as inhibitors of the chemotaxis of polymorphonucleate and mononucleate cells DOMPÉ FARMACEUTICI S.P.A. (IT) 2016-11-15 — — US disclosed
EP-1366018-B1 OMEGA-AMINOALKYLAMIDES OF (R)-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS DOMPÉ FARMACEUTICI S P A (IT) 2016-07-06 — — EP disclosed
US-20130079514-A1 \"OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS\ Dompé S.p.A. (IT) 2013-03-28 — — US disclosed
US-8288368-B2 inhibitors of the C5a induced chemotaxis; psoriasis, ulcerative cholitis, glomerular nephritis, acute respiratory insufficiency, idiopathic fibrosis, rheumatoid arthritis and in the prevention and the treatment of injury caused by ischemia and reperfusion DOMPÉ PHA.R.MA S.P.A. (IT) 2012-10-16 — — US disclosed
US-8217050-B2 Adenine derivative as inhibitors of HSP90 for the treatment of cancer CHROMA THERAPEUTICS LIMITED (GB) 2012-07-10 — — US disclosed
WO-2010043867-A1 PYRROLO [2, 3-D] PYRIMIDINES AS INHIBITORS OF HSP90 CHROMA THERAPEUTICS LTD (GB) 2010-04-22 — — WO disclosed
US-20100035901-A1 ADENINE DERIVATIVE AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. 2010-02-11 — — US disclosed
CN-101541800-A Pteridine derivatives as polo-like kinase inhibitors useful in the treatment of cancer CHROMA THERAPEUTICS LTD (GB) 2009-09-23 — — CN disclosed
US-20090203711-A1 Inhibitors of P38 Map Kinase CHROMA THERAPEUTICS LTD. (GB) 2009-08-13 — — US disclosed
EP-2084161-A1 ADENINE DERIVATIVES AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER Chroma Therapeutics Limited (GB) 2009-08-05 — — EP disclosed
WO-2008056120-A1 ADENINE DERIVATIVES AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2008-05-15 — — WO disclosed
WO-2008053157-A1 AMINOHETEROARYL COMPOUNDS AS FOR THE TREATMENT OF DISEASES MEDIATED BY C-MET KINASE ACTIVITY CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 — — WO disclosed
US-20050080067-A1 Omega aminoalkylamides of R-2 aryl propionic acids as inhibitors of the chemotaxis of polymorphonucleate and mononucleate cells DOMPE S.P A. (IT) 2005-04-14 — — US disclosed
EP-1366018-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.P.A. (IT) 2003-12-03 — — EP disclosed
WO-2002068377-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.p.A. (IT) 2002-09-06 — — 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 (4 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-20090203711-A1 Inhibitors of P38 Map Kinase MAPK1, MAPK3, CNKSR1 CTSK 1291/4885CTSS 1212/4885MEN1 4577/4885
US-20050080067-A1 Omega aminoalkylamides of R-2 aryl propionic acids as inhibitors of the chemotaxis of polymorphonucleate and mononucleate cells C5AR2, C3AR1, C5AR1 CTSK 2645/4885CTSS 1324/4885MEN1 4826/4885
US-20130079514-A1 \"OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS\ C5AR2, C3AR1, C5AR1 CTSK 2872/4885CTSS 1271/4885MEN1 4788/4885
US-20100035901-A1 ADENINE DERIVATIVE AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER HSP90AA1, HSP90AB1, HSP90B1 CTSK 4422/4885CTSS 4530/4885MEN1 4107/4885

“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.

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