SCHEMBL2802492

SCHEMBL2802492

O=C(O)Cn1c(CCc2ccc(F)cc2F)nc(=O)c2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 8/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ ENPP2 Q13822 5/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39

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
SCHEMBL4890172 0.89 PTGDR2 (0.38) PTGDR2CYP2C9ENPP2CYP1A2CYP3A4
SCHEMBL13125169 0.86 MEN1 (0.48) CYP2C9CYP1A2CYP2C19MAPTTP53
SCHEMBL4718292 0.86 CYP2C9 (0.48) PTGDR2CYP2C9MAPT
SCHEMBL2802517 0.85 PTGDR2 (0.52) PTGDR2CYP2C9CYP1A2CYP3A4CYP2C8
SCHEMBL4718153 0.85 MAPT (0.48) PTGDR2CYP2C9ENPP2PTGDRMAPT
SCHEMBL2807725 0.84 CYP2C9 (0.55) PTGDR2CYP2C9ENPP2MAPT
SCHEMBL4886371 0.80 HTR2A (0.37) PTGDR2ENPP2MAPTTP53HTR2A
SCHEMBL4713432 0.77 GLA (0.47) PTGDR2PTGDR
SCHEMBL4713329 0.75 PLA2G7 (0.40) PTGDR2CYP2C9CYP1A2CYP3A4CYP2C8
SCHEMBL4716119 0.74 PTGDR2 (0.45) PTGDR2CYP2C9CYP1A2CYP3A4CYP2C8

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 39 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-9029383-B2 Methods of treatment of skin ulcers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-05-12 — — US disclosed
US-20080279846-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-13 — — US disclosed
US-20080279846-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-13 — — US disclosed
US-20080279846-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-13 — — US disclosed
US-20080103156-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-05-01 — — US disclosed
US-20080103156-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-05-01 — — US disclosed
WO-2008048867-A2 BICYCLIC HETEROAROMATIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-24 — — WO disclosed
US-20080090851-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — US disclosed
US-20080090851-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — US disclosed
US-20080090852-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — US disclosed
US-20080090852-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — 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-20080279846-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, PLA2G1B, PLA2G2A PTGDR2 714/4885CYP2C9 4400/4885ENPP2 38/4885
US-20080090851-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 PTGDR2 1572/4885CYP2C9 96/4885ENPP2 2272/4885
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A PTGDR2 263/4885CYP2C9 4500/4885ENPP2 62/4885
US-20080090852-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 PTGDR2 1685/4885CYP2C9 93/4885ENPP2 2398/4885
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, LPAR1, PLA2G1B PTGDR2 483/4885CYP2C9 4440/4885ENPP2 44/4885
US-20080103156-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 PTGDR2 1572/4885CYP2C9 96/4885ENPP2 2272/4885

“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.

Send feedback