SCHEMBL809970

SCHEMBL809970

NC(c1ccccc1)C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
CA2 P00918 7/20 0.52
CA12 O43570 5/20 0.52
CA9 Q16790 5/20 0.52
MMP2 P08253 4/20 0.49
CA14 Q9ULX7 4/20 0.49
KMT2A Q03164 5/20 0.47
CA1 P00915 5/20 0.46
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA5B Q9Y2D0 2/20 0.46

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
SCHEMBL13191160 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1CA2CA12
SCHEMBL31544497 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1CA2CA12
SCHEMBL15332391 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1CA2CA12
SCHEMBL3852094 0.85 GBA1 (0.51) SLC1A3SLC1A2SLC1A1CA2CA12
SCHEMBL2067895 0.85 GBA1 (0.51) SLC1A3SLC1A2SLC1A1CA2CA12
SCHEMBL3862569 0.85 GBA1 (0.51) SLC1A3SLC1A2SLC1A1CA2CA12
SCHEMBL7089076 0.84 GBA1 (0.50) SLC1A3SLC1A2SLC1A1CA2CA12
SCHEMBL13191678 0.82 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1CA2CA9
SCHEMBL472429 0.81 ALDH1A1 (0.53) SLC1A3SLC1A2SLC1A1CA2CA12
SCHEMBL2239236 0.81 ALDH1A1 (0.53) SLC1A3SLC1A2SLC1A1CA2CA12

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 SLC1A3 2827/4885SLC1A2 2106/4885SLC1A1 2249/4885

“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.