SCHEMBL810108

SCHEMBL810108

NC1CCCCC1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA2 P00918 5/20 0.47
CA1 P00915 4/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47

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
SCHEMBL21994678 1.00 MEN1 (0.51) MEN1KMT2APOLBTDP1CA2
SCHEMBL30221947 0.88 MEN1 (0.59) MEN1KMT2APOLBTDP1CA2
SCHEMBL28380213 0.81 RECQL (0.50) POLBMMP1MMP2MMP9MMP8
SCHEMBL810319 0.81 ALDH1A1 (0.62) KDM4ERECQLSMN1; SMN2LMNAMAPT
SCHEMBL28393319 0.81 RECQL (0.50) POLBMMP1MMP2MMP9MMP8
SCHEMBL987578 0.81 ALDH1A1 (0.62) KDM4ERECQLSMN1; SMN2LMNAMAPT
SCHEMBL6816353 0.81 ALDH1A1 (0.62) KDM4ERECQLSMN1; SMN2LMNAMAPT
SCHEMBL419813 0.81 ALDH1A1 (0.62) KDM4ERECQLSMN1; SMN2LMNAMAPT
SCHEMBL5430216 0.81 SMN1; SMN2 (0.50) CA2CA1MMP1MMP2MMP9
SCHEMBL810008 0.81 MAPK1 (0.59) KMT2ATDP1KDM4ERECQLSMN1; SMN2

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL ADH1A, ADH1C, ADH5 MEN1 2168/4885KMT2A 2734/4885POLB 445/4885

“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.