SCHEMBL6019273

SCHEMBL6019273

Cc1ccc2c(c1)OC(F)C(F)(F)O2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CA2 P00918 1/20 0.32
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 3/20 0.31
RAD52 P43351 1/20 0.31
ATM Q13315 1/20 0.31
MAOB P27338 4/20 0.31
MMP12 P39900 1/20 0.30

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
SCHEMBL7267845 0.93 BRD4 (0.33) PTGS2BRD4CREBBPKDM4ERAD52
SCHEMBL14007744 0.79 MAPT (0.42) GAAKDM4E
SCHEMBL7266857 0.77 CYP19A1 (0.32) PTGS2
SCHEMBL9836843 0.76 PDE2A (0.33)
SCHEMBL9838859 0.76 KDM4E (0.42) KDM4E
SCHEMBL6449692 0.75 LMNA (0.31)
SCHEMBL11154284 0.75 SLC6A4 (0.30)
SCHEMBL7262493 0.75 ALDH1A1 (0.42) PTGS2KDM4E
SCHEMBL7272939 0.75
SCHEMBL14819 0.72 CTNNB1 (0.41) KDM4ERAD52ATMMMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838319-B1 PDE5 INHIBITOR COMPOSITIONS AND METHODS FOR IMMUNOTHERAPY UNIV JOHNS HOPKINS (US) 2018-03-07 EP disclosed
US-20170224691-A1 PDE INHIBITORS IN IMMUNOTHERAPY THE JOHNS HOPKINS UNIVERSITY 2017-08-10 US disclosed
US-20170224691-A1 PDE INHIBITORS IN IMMUNOTHERAPY THE JOHNS HOPKINS UNIVERSITY 2017-08-10 US disclosed
US-9468643-B2 PDE5 inhibitor compositions and methods for immunotherapy THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-18 US disclosed
US-9468643-B2 PDE5 inhibitor compositions and methods for immunotherapy THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-18 US disclosed
US-20140255433-A1 PDE5 INHIBITOR COMPOSITIONS AND METHODS FOR IMMUNOTHERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-11 US disclosed
US-20140255433-A1 PDE5 INHIBITOR COMPOSITIONS AND METHODS FOR IMMUNOTHERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-11 US disclosed
US-20130123264-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY BOWEL DISORDERS AND INTESTINAL CANCERS Georgia Health Sciences University 2013-05-16 US disclosed
US-20130123264-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY BOWEL DISORDERS AND INTESTINAL CANCERS Georgia Health Sciences University 2013-05-16 US disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
US-5936102-A CYCLOCONDENSING O-(2-BROMOTETRAFLUOROETHOXY)PHENOL IN THE PRESENCE OF ACID BINDER BAYER AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
EP-0893444-A1 Process for reparing 2,2,3,3-tetrafluoro-1,4-benzodioxanes, new o-(2-bromo-1,1,2,2,-tetrafluoroethoxy)-phenols and new2-bromo-1,1,2,2-tetrafuoroethoxy-phenylethers BAYER AG (DE) 1999-01-27 EP disclosed
US-5344944-A Cardiovascular insufficiency, increasing the contractive force of the heart BAYER AKTIENGESELLSCHAFT (DE) 1994-09-06 US disclosed
EP-0291799-B1 DIOXYALKYLENEARYL-DIHYDROPYRIDINES AND THEIR INTERMEDIARY COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1993-06-16 EP disclosed
US-4886816-A CARDIOTONIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
EP-0291799-A2 Dioxyalkylenearyl-dihydropyridines and their intermediary compounds, process for their preparation and their use BAYER AG (DE) 1988-11-23 EP disclosed
US-4438275-A 2,2-DIFLUORO-BENZODIOXOLES BAYER AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed
US-4405639-A INSECTICIDES; PESTICIDES; MITICIDES; NEMATOCIDES; PARACITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
US-4348323-A FLUORINE-CONTAINING BENZODIOXINE INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
US-4284643-A Combating arthropods with novel fluorine-containing phenylacetic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 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 (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-20130123264-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY BOWEL DISORDERS AND INTESTINAL CANCERS PRKG2, PDE5A, PRKG1 PTGS2 93/4885BRD4 3254/4885CREBBP 2232/4885
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A PTGS2 249/4885BRD4 2206/4885CREBBP 978/4885
US-20140255433-A1 PDE5 INHIBITOR COMPOSITIONS AND METHODS FOR IMMUNOTHERAPY PDE5A, PDE3A, PDE2A PTGS2 855/4885BRD4 1002/4885CREBBP 1771/4885
US-20170224691-A1 PDE INHIBITORS IN IMMUNOTHERAPY PDE5A, PDE2A, PDE3A PTGS2 578/4885BRD4 591/4885CREBBP 1391/4885

“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.