SCHEMBL810171

SCHEMBL810171

NC1CCCCC1NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.63
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
F2 P00734 2/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NSD2 O96028 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL7888147 0.81 GAA (0.65) NPY5RGAAHTTNPSR1ALDH1A1
SCHEMBL5796406 0.77 ALDH1A1 (0.65) GAAHTTNPSR1ALDH1A1LMNA
SCHEMBL14455217 0.77 ALDH1A1 (0.65) GAAHTTNPSR1ALDH1A1LMNA
SCHEMBL6055248 0.77 ALDH1A1 (0.65) GAAHTTNPSR1ALDH1A1LMNA
SCHEMBL809747 0.77 ALDH1A1 (0.52) NPY5RGAAALDH1A1MAPTL3MBTL1
SCHEMBL810320 0.76 KMT2A (0.52) NPSR1F2PRSS1PRSS2PRSS3
SCHEMBL9543831 0.75 PRKD3 (0.55) NPY5RHTTALDH1A1KDM4ECYP1A2
SCHEMBL7103018 0.75 KMT2A (0.71) HTTF2PRSS1PRSS2PRSS3
SCHEMBL6205606 0.72 CCR8 (0.56) NPY5RGAAHTTNPSR1NSD2
SCHEMBL9015386 0.72 KDM4E (0.52) NPY5RGAAHTTNPSR1F2

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 NPY5R 4223/4885GAA 531/4885HTT 4760/4885

“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.