SCHEMBL4908289

SCHEMBL4908289

CC(C)Sc1ccc(C#N)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.49
KCNH2 Q12809 3/20 0.49
CETP P11597 1/20 0.46
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
AKR1C3 P42330 1/20 0.42
SLC6A5 Q9Y345 2/20 0.42
ELANE P08246 2/20 0.42
PANK3 Q9H999 1/20 0.41

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
SCHEMBL4910182 0.82 SLC6A9 (0.70) SLC6A9KCNH2SLC6A5
SCHEMBL4425004 0.82 SLC6A9 (0.70) SLC6A9KCNH2CETPSLC6A5
SCHEMBL4900059 0.82 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5
SCHEMBL4906482 0.80 SLC6A9 (0.57) SLC6A9KCNH2SLC6A5
SCHEMBL5041322 0.80 SLC6A9 (0.59) SLC6A9KCNH2CETP
SCHEMBL5041864 0.77 SLC6A9 (0.60) SLC6A9KCNH2CETPCA12CA2
SCHEMBL5042735 0.76 SLC6A9 (0.56) SLC6A9KCNH2CETP
SCHEMBL5047602 0.75 SLC6A9 (0.58) SLC6A9KCNH2CETPCA12CA2
SCHEMBL5037822 0.75 SLC6A9 (0.71) SLC6A9KCNH2CETPCA12CA2
SCHEMBL4908760 0.72 SLC6A9 (0.66) SLC6A9KCNH2AKR1C3SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2008-11-20 US disclosed
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2008-11-20 US disclosed
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2008-11-20 US disclosed
EP-1836178-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-09-26 EP disclosed
WO-2006072435-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
US-20060149062-A1 Sulfanyl substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 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 (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-20060149062-A1 Sulfanyl substituted phenyl methanones SULT1A1, SULT2A1, SULT1E1 SLC6A9 19/4885KCNH2 2426/4885CETP 1274/4885
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES SULT1A1, SULT2A1, SULT1E1 SLC6A9 19/4885KCNH2 2426/4885CETP 1274/4885

“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.