Sugi Predict

Sugi Predict / Compounds / SCHEMBL809996

SCHEMBL809996

SCHEMBL809996

CS(=O)(=O)NC1CCCCC1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA12 O43570 3/20 0.40
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ THRB P10828 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.36
▸ HCRTR2 O43614 7/20 0.34
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ KAT2B Q92831 1/20 0.32

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
SCHEMBL5182563 1.00 CA1 (0.40) CA1CA2CA12MMP2MMP9
SCHEMBL5181970 1.00 CA1 (0.40) CA1CA2CA12MMP2MMP9
SCHEMBL5181981 1.00 CA1 (0.40) CA1CA2CA12MMP2MMP9
SCHEMBL5182557 1.00 CA1 (0.40) CA1CA2CA12MMP2MMP9
Benzene SCHEMBL5179558 0.92 ALDH1A1 (0.36) CA1CA2CA12MMP2MMP9
Benzene SCHEMBL5179367 0.92 ALDH1A1 (0.36) CA1CA2CA12MMP2MMP9
Hexamethylbenzene SCHEMBL5418276 0.91 LMNA (0.35) CA1CA2CA12MMP2MMP9
Hexamethylbenzene SCHEMBL5418228 0.91 LMNA (0.35) CA1CA2CA12MMP2MMP9
SCHEMBL5422332 0.86 SYK (0.41) ALDH1A1
P-Xylene SCHEMBL5424714 0.86 ALDH1A1 (0.44) HCRTR2ALDH1A1

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 18 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-9896402-B2 Method for preventing decrease in optical purity TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-02-20 — — US disclosed
EP-2774908-B1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY TAKASAGO PERFUMERY CO LTD (JP) 2017-02-08 — — EP disclosed
US-20140296582-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-10-02 — — US disclosed
EP-2774908-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY Takasago International Corporation (JP) 2014-09-10 — — 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
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
US-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-03-05 — — 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
WO-2006048546-A1 USE OF AN AROMATIC CARBOXYLIC ACID IN AN ASYMMETRIC CATALYSIS REACTION SHASUN PHARMA SOLUTIONS LIMITED (GB) 2006-05-11 — — WO disclosed
EP-0982286-B1 Diene compounds and process for preparing the same TAKASAGO PERFUMERY CO LTD (JP) 2005-02-23 — — 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
US-6323174-B1 PERFUME COMPOSITION AT LEAST COMPRISING 4-METHYL-5-HEXEN-1-AL TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-27 — — US disclosed
US-6239324-B1 REACTING A 1,3-BUTADIENE WITH OLEFIN IN PRESENCE OF HYDROPHILIC SOLVENT AND RUTHENIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-05-29 — — 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 (5 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-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 CA1 661/4885CA2 710/4885CA12 1616/4885
US-20140296582-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY QDPR, NOX4, NOX5 CA1 1534/4885CA2 739/4885CA12 1887/4885
US-20040176616-A1 Process for producing optically active compound OSTC, NPEPPS, PPOX CA1 3565/4885CA2 1764/4885CA12 2398/4885
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 CA1 661/4885CA2 710/4885CA12 1616/4885
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL ADH1A, ADH1C, ADH5 CA1 1136/4885CA2 1832/4885CA12 1833/4885

“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.