SCHEMBL2718293

SCHEMBL2718293

NS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 17/20 0.78
PTGS2 P35354 2/20 0.58
CA9 Q16790 1/20 0.55

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
SCHEMBL15346636 0.95 PDPK1 (0.70) PDPK1PTGS2
SCHEMBL15346826 0.92 PDPK1 (0.77) PDPK1PTGS2
SCHEMBL2732571 0.91 PDPK1 (0.72) PDPK1PTGS2
SCHEMBL15347121 0.90 PTGS2 (0.72) PDPK1PTGS2
SCHEMBL19665014 0.89 PDPK1 (0.61) PDPK1PTGS2CA9
SCHEMBL15347005 0.88 PDPK1 (0.64) PDPK1PTGS2
SCHEMBL29464040 0.88 PDPK1 (1.00) PDPK1PTGS2CA9
SCHEMBL5672824 0.88 PDPK1 (1.00) PDPK1PTGS2CA9
SCHEMBL15346851 0.86 PDPK1 (0.77) PDPK1PTGS2
SCHEMBL15346527 0.85 PTGS2 (0.74) PDPK1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019156946-A2 COMPOSITIONS AND METHODS FOR IMPROVING CFTR FUNCTION IN CYSTIC FIBROSIS-AFFECTED CELLS RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2019-08-15 WO disclosed
EP-3363435-A1 ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES The Ohio State University Research Foundation (US) 2018-08-22 EP disclosed
US-10028933-B2 Compositions and methods for inhibiting the growth of multi-drug resistant microbes OHIO STATE INNOVATION FOUNDATION (US) 2018-07-24 US disclosed
US-10028933-B2 Compositions and methods for inhibiting the growth of multi-drug resistant microbes OHIO STATE INNOVATION FOUNDATION (US) 2018-07-24 US disclosed
WO-2018089374-A1 COMPOSITIONS AND METHODS FOR INHIBITING THE GROWTH OF FRANCISELLA OHIO STATE INNOVATION FOUNDATION (US) 2018-05-17 WO disclosed
EP-2635274-B1 ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES UNIV OHIO STATE RES FOUND (US) 2017-12-06 EP disclosed
EP-2635274-B1 ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES UNIV OHIO STATE RES FOUND (US) 2017-12-06 EP disclosed
US-20170020846-A1 COMPOSITIONS AND METHODS FOR INHIBITING THE GROWTH OF MULTI-DRUG RESISTANT MICROBES OHIO STATE INNOVATION FOUNDATION 2017-01-26 US disclosed
US-20170020846-A1 COMPOSITIONS AND METHODS FOR INHIBITING THE GROWTH OF MULTI-DRUG RESISTANT MICROBES OHIO STATE INNOVATION FOUNDATION 2017-01-26 US disclosed
WO-2017015352-A1 COMPOSITIONS AND METHODS FOR INHIBITING THE GROWTH OF MULTI-DRUG RESISTANT MICROBES OHIO STATE INNOVATION FOUNDATION (US) 2017-01-26 WO disclosed
US-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 US disclosed
US-9079899-B2 Anti-staphylococcal celecoxib derivatives THE OHIO STATE UNIVERSITY (US) 2015-07-14 US disclosed
US-9079899-B2 Anti-staphylococcal celecoxib derivatives THE OHIO STATE UNIVERSITY (US) 2015-07-14 US disclosed
US-20130289004-A1 ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-31 US disclosed
US-20130289004-A1 ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-31 US disclosed
EP-2635274-A1 ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES The Ohio State University Research Foundation (US) 2013-09-11 EP disclosed
WO-2012061260-A1 ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-10 WO disclosed
WO-2012061260-A1 ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-10 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-20130289004-A1 ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES PTGS1, IL17A, IKBKE PDPK1 2310/4885PTGS2 13/4885CA9 776/4885
US-10028933-B2 Compositions and methods for inhibiting the growth of multi-drug resistant microbes MMP13, MICOS13, AR PDPK1 3584/4885PTGS2 2307/4885CA9 707/4885
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS DMPK, MYLK3, MYLK2 PDPK1 110/4885PTGS2 340/4885CA9 3875/4885
US-20170020846-A1 COMPOSITIONS AND METHODS FOR INHIBITING THE GROWTH OF MULTI-DRUG RESISTANT MICROBES MMP13, MICOS13, AR PDPK1 3584/4885PTGS2 2307/4885CA9 707/4885

“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.