SCHEMBL1576313

SCHEMBL1576313

O=C(Nc1ccccc1F)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.67
PDK2 Q15119 1/20 0.67
PDK3 Q15120 1/20 0.67
PDK4 Q16654 1/20 0.67
RAB9A P51151 9/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 1/20 0.54
ALOX12 P18054 1/20 0.54
HTT P42858 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
JAK2 O60674 1/20 0.53
TP53 P04637 1/20 0.53
KLK7 P49862 1/20 0.53
POLB P06746 1/20 0.51
ANO1 Q5XXA6 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL3596918 0.85 TP53 (0.50) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL7089699 0.82 RAB9A (0.71) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL22472038 0.82 RAB9A (0.62) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL3846828 0.82 PTGS1 (0.58) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL6367216 0.82 SMN1; SMN2 (0.56) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL22262468 0.82 MAPT (0.48) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL29659883 0.82 MAPT (0.48) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL14764250 0.82 HTT (0.48) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL20051277 0.82 HDAC1 (0.51) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL6753905 0.82 PDK1 (0.64) PDK1PDK2PDK3PDK4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII 2022-09-15 US disclosed
WO-2021016333-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2021-01-28 WO disclosed
WO-2021016333-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2021-01-28 WO disclosed
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-7282609-B2 Process for production of 1-aryl-5-(trifluoromethyl)-1H-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-10-16 US disclosed
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-05-10 US disclosed
EP-1671945-A1 PROCESS FOR PRODUCTION OF 1-ARYL-5-(TRIFLUOROMETHYL)-1H- TETRAZOLES Toyo Kasei Kogyo Company Limited (JP) 2006-06-21 EP disclosed
US-4766243-A Electrophilic fluorination of aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1988-08-23 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 PDK1 1847/4885PDK2 1614/4885PDK3 1371/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 PDK1 938/4885PDK2 1240/4885PDK3 1283/4885
US-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS STAT3, JAK2, STAT6 PDK1 1474/4885PDK2 2155/4885PDK3 2514/4885
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TH, NAT1, PAH PDK1 3510/4885PDK2 1327/4885PDK3 2948/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 PDK1 1623/4885PDK2 1476/4885PDK3 1556/4885

“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.