SCHEMBL16929796

SCHEMBL16929796

COC(=O)c1ccc2c(cnn2Cc2cc(C(F)(F)F)cc3cnn(CC(C)C)c23)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.42
▸ PPARG P37231 2/20 0.42
▸ HDAC2 Q92769 1/20 0.37
▸ S1PR1 P21453 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ GCGR P47871 3/20 0.35
▸ KIF11 P52732 2/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ ESRRA P11474 2/20 0.34
▸ NR3C1 P04150 1/20 0.34

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
SCHEMBL16929714 0.90 EPHX2 (0.40) EPHX2PPARGHDAC2S1PR1MAPK1
SCHEMBL16929723 0.89 CYP11B1 (0.43) EPHX2PPARGHDAC2MAPK1MAOA
SCHEMBL16929770 0.88 EPHX2 (0.43) EPHX2PPARGHDAC2MAPK1MAOA
SCHEMBL16929744 0.86 FGFR1 (0.40) EPHX2PPARGMAPK1KIF11IDH1
SCHEMBL16929777 0.86 MAPK1 (0.37) EPHX2PPARGHDAC2MAPK1MAOA
SCHEMBL16929801 0.86 MAOA (0.41) EPHX2PPARGHDAC2MAPK1MAOA
SCHEMBL19512140 0.84 ESRRA (0.38) EPHX2PPARGS1PR1MAPK1ESRRA
SCHEMBL15076250 0.81 PTGER1 (0.41) EPHX2PPARGHDAC2
SCHEMBL23467033 0.81 MAOA (0.46) MAPK1CYP17A1CYP3A4MAOAMAOB
SCHEMBL15076184 0.81 EPHX2 (0.44) EPHX2PPARGHDAC2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657018-B2 Antagonists acting at multiple prostaglandin receptors for the treatment of inflammation ALLERGAN, INC. (US) 2017-05-23 — — US claimed
US-20170096423-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN, INC. 2017-04-06 — — US claimed
EP-3099667-B1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN INC (US) 2017-11-01 — — EP disclosed
EP-3099667-B1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN INC (US) 2017-11-01 — — EP disclosed
US-9657018-B2 Antagonists acting at multiple prostaglandin receptors for the treatment of inflammation ALLERGAN, INC. (US) 2017-05-23 — — US disclosed
US-9657018-B2 Antagonists acting at multiple prostaglandin receptors for the treatment of inflammation ALLERGAN, INC. (US) 2017-05-23 — — US disclosed
US-9657018-B2 Antagonists acting at multiple prostaglandin receptors for the treatment of inflammation ALLERGAN, INC. (US) 2017-05-23 — — US disclosed
US-20170096423-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN, INC. 2017-04-06 — — US disclosed
US-20170096423-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN, INC. 2017-04-06 — — US disclosed
US-20170096423-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN, INC. 2017-04-06 — — US disclosed
EP-3099667-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN, INC. (US) 2016-12-07 — — EP disclosed
US-9365569-B2 Antagonists acting at multiple prostaglandin receptors for the treatment of inflammation ALLERGAN, INC. (US) 2016-06-14 — — US disclosed
US-9365569-B2 Antagonists acting at multiple prostaglandin receptors for the treatment of inflammation ALLERGAN, INC. (US) 2016-06-14 — — US disclosed
US-9365569-B2 Antagonists acting at multiple prostaglandin receptors for the treatment of inflammation ALLERGAN, INC. (US) 2016-06-14 — — US disclosed
US-20150210689-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN, INC. 2015-07-30 — — US disclosed
US-20150210689-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN, INC. 2015-07-30 — — US disclosed
US-20150210689-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN, INC. 2015-07-30 — — US disclosed
WO-2015113057-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN, INC. (US) 2015-07-30 — — WO disclosed
WO-2015113057-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION ALLERGAN, INC. (US) 2015-07-30 — — 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 (2 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-20150210689-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION PTGER1, PTGER4, PTGER2 EPHX2 737/4885PPARG 36/4885HDAC2 2787/4885
US-20170096423-A1 ANTAGONISTS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS FOR THE TREATMENT OF INFLAMMATION PTGER1, PTGER4, PTGER2 EPHX2 737/4885PPARG 36/4885HDAC2 2787/4885

“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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