SCHEMBL810906

SCHEMBL810906

NC1CCCCC1NS(=O)(=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.39
CA12 O43570 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 3/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
CA7 P43166 2/20 0.37
CA14 Q9ULX7 2/20 0.37
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 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
SCHEMBL28072673 0.89 CA1 (0.36) CA1CA12CA2CA9MMP2
SCHEMBL809996 0.77 CA1 (0.40) CA1CA12CA2CA9MMP2
SCHEMBL5182563 0.77 CA1 (0.40) CA1CA12CA2CA9MMP2
SCHEMBL5182557 0.77 CA1 (0.40) CA1CA12CA2CA9MMP2
SCHEMBL5181970 0.77 CA1 (0.40) CA1CA12CA2CA9MMP2
SCHEMBL5181981 0.77 CA1 (0.40) CA1CA12CA2CA9MMP2
SCHEMBL12927222 0.73 CA1 (0.39) CA1CA12CA2CA9MMP2
SCHEMBL6057631 0.73 CA12 (0.61) CA1CA12CA2CA9CA7
SCHEMBL11134361 0.73 CA12 (0.61) CA1CA12CA2CA9CA7
SCHEMBL5180906 0.72 CA1 (0.37) CA1CA12CA2CA9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399895-B1 Process for producing optically active aliphatic fluoroalcohol KANTO KAGAKU (JP) 2018-08-08 EP disclosed
US-9162934-B2 Process for producing optically active alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-10-20 US disclosed
EP-2394977-B1 Process for producing optically active alcohol KANTO KAGAKU (JP) 2014-01-08 EP disclosed
US-8558033-B2 Process for producing optically active aliphatic fluoroalcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2013-10-15 US disclosed
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-12-29 US disclosed
EP-2399895-A2 Process for producing optically active aliphatic fluoroalcohol Kanto Kagaku Kabushiki Kaisha (JP) 2011-12-28 EP disclosed
EP-2394977-A1 Process for producing optically active alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2011-12-14 EP disclosed
US-20110282077-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-11-17 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-20110282077-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, ADH5 CA1 1041/4885CA12 1339/4885CA2 713/4885
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL ADH1A, ADH1C, ADH5 CA1 1136/4885CA12 1833/4885CA2 1832/4885

“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.