SCHEMBL810320

SCHEMBL810320

NC1CCCCC1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 4/20 0.47
THRB P10828 1/20 0.46
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
F10 P00742 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MMP2 P08253 6/20 0.43
MMP13 P45452 6/20 0.43
MMP9 P14780 5/20 0.43
MMP14 P50281 5/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43

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
SCHEMBL14455217 0.82 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNATHRBNPSR1
SCHEMBL5796406 0.82 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNATHRBNPSR1
SCHEMBL6055248 0.82 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNATHRBNPSR1
SCHEMBL23052423 0.81 KMT2A (0.66) KMT2AL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2674938 0.80 KMT2A (0.64) KMT2AL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL810835 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL810572 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNATHRBNPSR1
SCHEMBL3683615 0.77 KMT2A (0.69) KMT2AL3MBTL1ALDH1A1SMN1; SMN2LMNA
Toluene SCHEMBL5423398 0.77 ALDH1A1 (0.55) ALDH1A1LMNATHRBNPSR1MMP2
Toluene SCHEMBL5420163 0.77 ALDH1A1 (0.55) ALDH1A1LMNATHRBNPSR1MMP2

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 KMT2A 3043/4885L3MBTL1 3943/4885ALDH1A1 32/4885
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL ADH1A, ADH1C, ADH5 KMT2A 2734/4885L3MBTL1 3637/4885ALDH1A1 5/4885

“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.