SCHEMBL12514743

SCHEMBL12514743

CC(C)(C)OC(=O)NCCSc1c(N)cc(C(F)(F)F)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1C Q13936 1/20 0.42
IDO1 P14902 3/20 0.40
TDP1 Q9NUW8 1/20 0.38
CFTR P13569 2/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK2 Q15119 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4798877 0.90 IDO1 (0.41) IDO1TDP1CA12CA1CA2
SCHEMBL13429387 0.78 IDO1 (0.39) CACNA1HCACNA1BCACNA1CIDO1TDP1
SCHEMBL15794060 0.77 HDAC3 (0.37) GPBAR1CA1CA2MAOAMAOB
SCHEMBL13429272 0.77 SERPINE1 (0.45) IDO1TDP1CA12CA1CA2
SCHEMBL8686230 0.76 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CIDO1TDP1
SCHEMBL12444075 0.75 NOS1 (0.39) CFTRMEN1GAAKMT2A
SCHEMBL15794406 0.75 IDO1 (0.43) CACNA1HCACNA1BCACNA1CIDO1CA12
SCHEMBL11932050 0.74 HDAC1 (0.40) IDO1CA1CA2MEN1KMT2A
SCHEMBL13306470 0.74 IDO1 (0.46) IDO1TDP1CA12CA1CA2
SCHEMBL24460343 0.73 CFTR (0.47) GPBAR1CACNA1HCACNA1BCACNA1CIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 US disclosed
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 EP disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 US disclosed
US-9457027-B2 Compounds for use in treatment of mucostis CELLCEUTIX CORPORATION (US) 2016-10-04 US disclosed
US-20160213668-A1 Compounds for use in Treatment of Mucostis INNOVATION PHARMACEUTICALS INC. 2016-07-28 US disclosed
US-9155738-B2 Compounds for use in treatment of mucostitis CELLCEUTIX CORPORATION (US) 2015-10-13 US disclosed
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS INNOVATION PHARMACEUTICALS INC. 2014-12-11 US disclosed
US-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 US disclosed
US-20110178104-A1 Anti-Heparin Compounds POLYMEDIX INC. (US) 2011-07-21 US disclosed
WO-2011084970-A1 ANTI-HEPARIN COMPOUNDS POLYMEDIX INC. (US) 2011-07-14 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 (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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 GPBAR1 417/4885CACNA1H 4842/4885CACNA1B 4856/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 GPBAR1 417/4885CACNA1H 4842/4885CACNA1B 4856/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 GPBAR1 417/4885CACNA1H 4842/4885CACNA1B 4856/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 GPBAR1 3634/4885CACNA1H 786/4885CACNA1B 2594/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 GPBAR1 959/4885CACNA1H 4363/4885CACNA1B 4387/4885

“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.