SCHEMBL810967

SCHEMBL810967

Cc1cc(C)cc(S(=O)(=O)NC2CCCCC2N)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
SYK P43405 3/20 0.43
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MCOLN2 Q8IZK6 1/20 0.39
MCOLN1 Q9GZU1 1/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5422894 0.88 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRNPSR1SMN1; SMN2
SCHEMBL5430997 0.88 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRNPSR1SMN1; SMN2
SCHEMBL419813 0.84 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRNPSR1SMN1; SMN2
SCHEMBL810319 0.84 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRNPSR1SMN1; SMN2
SCHEMBL6816353 0.84 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRNPSR1SMN1; SMN2
SCHEMBL987578 0.84 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRNPSR1SMN1; SMN2
SCHEMBL810153 0.83 CA1 (0.45) ALDH1A1SYKNPSR1SMN1; SMN2LMNA
P-Xylene SCHEMBL5422459 0.83 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRNPSR1SMN1; SMN2
SCHEMBL6055077 0.83 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRNPSR1SMN1; SMN2
P-Xylene SCHEMBL5421280 0.83 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRNPSR1SMN1; 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 12 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
US-7268250-B2 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2007-09-11 US disclosed
EP-1439159-B1 Process for producing optically active compound KANTO KAGAKU (JP) 2007-06-20 EP disclosed
US-20040176616-A1 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA 2004-09-09 US disclosed
EP-1439159-A1 Process for producing optically active compound Kanto Kagaku Kabushiki Kaisha (JP) 2004-07-21 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 (3 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-20040176616-A1 Process for producing optically active compound OSTC, NPEPPS, PPOX ALDH1A1 3566/4885CYP3A4 77/4885TSHR 3616/4885
US-20110282077-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, ADH5 ALDH1A1 32/4885CYP3A4 731/4885TSHR 4330/4885
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL ADH1A, ADH1C, ADH5 ALDH1A1 5/4885CYP3A4 336/4885TSHR 3198/4885

“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.