SCHEMBL2840860

SCHEMBL2840860

CS(=O)(=O)N[C@@H](c1ccccc1)C(N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
KEAP1 Q14145 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
GBA1 P04062 1/20 0.38
CNR2 P34972 2/20 0.37
F2 P00734 1/20 0.37
AOC3 Q16853 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2844004 1.00 DPP4 (0.46) DPP4KEAP1CYP1A2CYP3A4CYP2D6
SCHEMBL990226 1.00 DPP4 (0.46) DPP4KEAP1CYP1A2CYP3A4CYP2D6
SCHEMBL809956 1.00 DPP4 (0.46) DPP4KEAP1CYP1A2CYP3A4CYP2D6
SCHEMBL3856755 1.00 DPP4 (0.46) DPP4KEAP1CYP1A2CYP3A4CYP2D6
SCHEMBL10193903 1.00 DPP4 (0.46) DPP4KEAP1CYP1A2CYP3A4CYP2D6
Benzene SCHEMBL4865907 0.98 DPP4 (0.45) DPP4KEAP1CYP1A2CYP3A4CYP2D6
Benzene SCHEMBL4859438 0.98 DPP4 (0.45) DPP4KEAP1CYP1A2CYP3A4CYP2D6
SCHEMBL7091245 0.98 DPP4 (0.45) DPP4KEAP1CYP1A2CYP3A4CYP2D6
Benzene SCHEMBL7089215 0.96 DPP4 (0.43) DPP4KEAP1CYP1A2CYP3A4CYP2D6
Hexamethylbenzene SCHEMBL4856383 0.93 DPP4 (0.41) DPP4KEAP1CYP1A2CYP3A4CYP2D6

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2868659-B1 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-04 EP claimed
US-9181217-B2 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-11-10 US claimed
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-04 US claimed
EP-2868659-A1 Method for producing optically active naphthalene compound Mitsubishi Tanabe Pharma Corporation (JP) 2015-05-06 EP claimed
EP-2749558-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-07-02 EP claimed
US-9745229-B2 Method for producing optically active compound, and novel metal-diamine complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-08-29 US disclosed
EP-3106453-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX Takasago International Corporation (JP) 2016-12-21 EP disclosed
US-20160347678-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-12-01 US disclosed
EP-2868659-B1 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-04 EP disclosed
US-9181217-B2 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-11-10 US disclosed
US-9073827-B2 Method for producing diamine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-07 US disclosed
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-04 US disclosed
US-6642387-B2 Dehalogenation esterification; efficient; no toxic materials KANEKA CORPORATION (JP) 2003-11-04 US disclosed
US-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same KANEKA CORPORATION (JP) 2003-07-10 US disclosed
EP-1308435-A2 Process for producing optically active amino alcohols Kanto Kagaku Kabushiki Kaisha (JP) 2003-05-07 EP disclosed
US-6515134-B1 A production method of an optically active hydroxyethyl pyridine derivative represented by the general formula which comprises using a microorganism-derived carbonyl reducing enzyme or a culture of a microorganism having an ability of KANEKA CORPORATION (JP) 2003-02-04 US disclosed
EP-1209150-A1 PROCESSES FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-05-29 EP disclosed
EP-1195371-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-04-10 EP disclosed
EP-1174426-A1 METHOD FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES THROUGH AZIDES Asahi Kasei Kabushiki Kaisha (JP) 2002-01-23 EP disclosed
EP-1153919-A1 SUBSTITUTED ACETYLPYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR OPTICALLY ACTIVE BETA3 AGONIST BY THE USE OF THE SAME KANEKA CORPORATION (JP) 2001-11-14 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-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same ADRB3, ADRB2, ADRB1 DPP4 2468/4885KEAP1 2454/4885CYP1A2 138/4885
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND HRH1, HRH4, RB1 DPP4 4229/4885KEAP1 232/4885CYP1A2 879/4885
US-20160347678-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX AOC1, ODC1, C5 DPP4 2382/4885KEAP1 345/4885CYP1A2 861/4885

“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.