SCHEMBL2995451

SCHEMBL2995451

COc1ccc(C(N)CC(=O)O)cc1OC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.62
PDE4D Q08499 11/20 0.62
PDE4B Q07343 10/20 0.62
PDE4C Q08493 9/20 0.62
MAPK14 Q16539 1/20 0.50

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
SCHEMBL4637671 0.99 PDE4A (0.61) PDE4APDE4DPDE4BPDE4C
SCHEMBL2985100 0.95 PDE4A (0.57) PDE4APDE4DPDE4BPDE4C
SCHEMBL5905440 0.94 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
SCHEMBL2988958 0.89 PDE4A (0.63) PDE4APDE4DPDE4BPDE4CMAPK14
SCHEMBL4637687 0.88 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL4638650 0.88 PDE4A (0.62) PDE4APDE4DPDE4BPDE4CMAPK14
SCHEMBL4637255 0.88 PDE4A (0.62) PDE4APDE4DPDE4BPDE4CMAPK14
SCHEMBL3181116 0.88 PDE4A (0.65) PDE4APDE4DPDE4BPDE4C
SCHEMBL5905386 0.86 PDE4A (0.48) PDE4APDE4DPDE4BPDE4C
SCHEMBL4728355 0.85 PDE4B (0.56) PDE4APDE4DPDE4BPDE4C

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP disclosed
EP-1468991-B1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORP (US) 2008-02-20 EP disclosed
US-20060264477-A1 Methods of using cyclic amides MULLER GEORGE W 2006-11-23 US disclosed
US-7091356-B2 Substituted alkanohydroxamic acids and method of reducing TNFα levels CELGENE CORPORATION 2006-08-15 US disclosed
US-7081464-B2 Topical compositions of cyclic amides as immunotherapeutic agents CELGENE CORPORATION (US) 2006-07-25 US disclosed
US-20060003979-A1 Topical compositions of cyclic amides as immunotherapeutic agents CELGENE CORPORATION 2006-01-05 US disclosed
US-20050096355-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2005-05-05 US disclosed
US-6180644-B1 TUMOR NECROSIS FACTOR INHIBITOR; ANTIINFLAMMATORY AGENT CELGENE CORPORATION 2001-01-30 US disclosed
EP-1035848-A1 SUBSTITUTED ALKANOHYDROXAMIC ACIDS AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORPORATION (US) 2000-09-20 EP disclosed
US-5968945-A Immunotherapeutic agents CELGENE CORPORATION (US) 1999-10-19 US disclosed
EP-0942902-A2 NOVEL IMMUNOTHERAPEUTIC IMIDES/AMIDES CELGENE CORPORATION (US) 1999-09-22 EP disclosed
WO-1999006041-A1 SUBSTITUTED ALKANOHYDROXAMIC ACIDS AND METHOD OF REDUCING TNFα LEVELS CELGENE CORPORATION (US) 1999-02-11 WO disclosed
EP-0874819-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-11-04 EP disclosed
WO-1998024763-A2 IMMUNOTHERAPEUTIC IMIDES/AMIDES AS PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-06-11 WO disclosed
US-5728844-A INHIBITORS OF TUMOR NECROSIS AND PHOSPHODIESTERASE CELGENE CORPORATION (US) 1998-03-17 US disclosed
US-5703098-A INHIBITORS OF CYTOKINES INCLUDING TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-30 US disclosed
WO-1997023457-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1997-07-03 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-20050096355-A1 Novel immunotherapeutic agents STING1, RNASE1, CGAS PDE4A 8/4885PDE4D 38/4885PDE4B 15/4885
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 PDE4A 2306/4885PDE4D 3630/4885PDE4B 2498/4885
US-20060003979-A1 Topical compositions of cyclic amides as immunotherapeutic agents TSLP, STING1, CGAS PDE4A 8/4885PDE4D 30/4885PDE4B 21/4885
US-20060264477-A1 Methods of using cyclic amides RNASE1, RNGTT, CGAS PDE4A 5/4885PDE4D 35/4885PDE4B 10/4885

“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.