SCHEMBL810645

SCHEMBL810645

Cc1c(C)c(C)c(S(=O)(=O)NC2CCCCC2N)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MCOLN2 Q8IZK6 1/20 0.33
MCOLN1 Q9GZU1 1/20 0.33

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
SCHEMBL810153 0.81 CA1 (0.45) ALDH1A1NPSR1MMP2MMP9CA1
Hexamethylbenzene SCHEMBL5418276 0.81 LMNA (0.35) ALDH1A1MMP2MMP9CA12CA1
Hexamethylbenzene SCHEMBL5418228 0.81 LMNA (0.35) ALDH1A1MMP2MMP9CA12CA1
SCHEMBL7559452 0.79 CA1 (0.40) ALDH1A1NPSR1MMP2MMP9CA12
SCHEMBL6531543 0.79 CA1 (0.40) ALDH1A1NPSR1MMP2MMP9CA12
Hexamethylbenzene SCHEMBL5423380 0.79 ALDH1A1 (0.57) ALDH1A1NPSR1SMN1; SMN2CRHBPCRHR2
Hexamethylbenzene SCHEMBL5424696 0.79 ALDH1A1 (0.57) ALDH1A1NPSR1SMN1; SMN2CRHBPCRHR2
SCHEMBL810967 0.76 ALDH1A1 (0.50) ALDH1A1NPSR1SMN1; SMN2USP2LMNA
SCHEMBL419813 0.76 ALDH1A1 (0.62) ALDH1A1NPSR1SMN1; SMN2USP2LMNA
SCHEMBL810319 0.76 ALDH1A1 (0.62) ALDH1A1NPSR1SMN1; SMN2USP2LMNA

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 ALDH1A1 32/4885NPSR1 2540/4885MMP2 2404/4885
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL ADH1A, ADH1C, ADH5 ALDH1A1 5/4885NPSR1 2261/4885MMP2 3121/4885

“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.