SCHEMBL2802517

SCHEMBL2802517

O=C(O)Cn1c(CCc2ccc(F)cc2F)nc(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.52
▸ GLA P06280 1/20 0.47
▸ PTGDR Q13258 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C8 P10632 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2B6 P20813 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ APEX1 P27695 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ PTGIR P43119 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
SCHEMBL4713432 0.91 GLA (0.47) PTGDR2GLAPTGDRAPEX1KDM4E
SCHEMBL4713223 0.89 GLA (0.49) PTGDR2GLACYP2C9APEX1KDM4E
SCHEMBL4715037 0.89 GLA (0.51) PTGDR2GLACYP2C9APEX1KDM4E
SCHEMBL4712989 0.88 GLA (0.46) PTGDR2GLACYP2C9APEX1KDM4E
SCHEMBL4789333 0.88 GLA (0.50) PTGDR2GLAAPEX1KDM4E
SCHEMBL4716910 0.86 GLA (0.48) PTGDR2GLACYP2C9APEX1KDM4E
SCHEMBL2802492 0.85 PTGDR2 (0.42) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL4714008 0.84 GLA (0.51) PTGDR2GLAAPEX1KDM4E
SCHEMBL2803782 0.83 CYP2C9 (0.54) PTGDR2GLACYP2C9APEX1KDM4E
SCHEMBL4715837 0.83 GLA (0.48) PTGDR2GLAAPEX1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2977452-A2 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2016-01-27 — — EP disclosed
EP-2977452-A2 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2016-01-27 — — EP disclosed
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-10-22 — — US disclosed
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-10-22 — — US disclosed
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-10-22 — — US disclosed
EP-2155225-B1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-07-08 — — EP disclosed
EP-2155225-B1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-07-08 — — EP disclosed
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 — — US disclosed
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 — — US disclosed
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 — — US disclosed
US-20080279846-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-13 — — US disclosed
WO-2008048866-A2 BICYCLIC HETEROAROMATIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-24 — — WO disclosed
WO-2008048866-A2 BICYCLIC HETEROAROMATIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-24 — — WO disclosed
US-20080090853-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — US disclosed
US-20080090853-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — US disclosed
US-20080090853-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — 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-20080279846-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, PLA2G1B, PLA2G2A PTGDR2 714/4885GLA 140/4885PTGDR 808/4885
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A PTGDR2 263/4885GLA 205/4885PTGDR 380/4885
US-20080090853-A1 Bicyclic Heteroaromatic Compounds GPR6, CNR1, NR3C1 PTGDR2 589/4885GLA 4292/4885PTGDR 293/4885
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, LPAR1, PLA2G1B PTGDR2 483/4885GLA 166/4885PTGDR 329/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B PTGDR2 113/4885GLA 639/4885PTGDR 115/4885

“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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