SCHEMBL2140261

SCHEMBL2140261

Cc1ccc(C)c(S(=O)(=O)N[C@H](c2ccccc2)[C@H](NS(=O)(=O)c2cc(C)ccc2C)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ATM Q13315 1/20 0.51
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
G6PD P11413 1/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
GFER P55789 1/20 0.43
ALKBH2 Q6NS38 1/20 0.43
ALKBH3 Q96Q83 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
SCHEMBL819844 0.87 ALDH1A1 (0.46) ALDH1A1CYP2C19L3MBTL1TDP1ATM
SCHEMBL12952524 0.84 ALDH1A1 (0.41) ALDH1A1CYP2C19L3MBTL1TDP1ATM
SCHEMBL13760019 0.82 ALDH1A1 (0.39) ALDH1A1CYP2C19L3MBTL1TDP1ATM
SCHEMBL2067591 0.77 ALDH1A1 (0.59) ALDH1A1CYP2C19L3MBTL1TDP1ATM
SCHEMBL2068549 0.77 ALDH1A1 (0.59) ALDH1A1CYP2C19L3MBTL1TDP1ATM
SCHEMBL607797 0.77 ALDH1A1 (0.59) ALDH1A1CYP2C19L3MBTL1TDP1ATM
SCHEMBL2068561 0.77 ALDH1A1 (0.59) ALDH1A1CYP2C19L3MBTL1TDP1ATM
SCHEMBL3633522 0.76 SLC1A3 (0.43) ALDH1A1CYP2C19L3MBTL1ATMKMT2A
SCHEMBL3630665 0.76 SLC1A3 (0.43) ALDH1A1CYP2C19L3MBTL1ATMKMT2A
SCHEMBL3630043 0.76 SLC1A3 (0.43) ALDH1A1CYP2C19L3MBTL1ATMKMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258477-B1 CATALYST AND MICHAEL ADDITION REACTION PROCESS JAPAN SCIENCE & TECH AGENCY (JP) 2015-03-25 EP disclosed
US-8987495-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-03-24 US disclosed
US-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-01-09 US disclosed
US-8563765-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-10-22 US disclosed
US-8222177-B2 Catalyst and reaction process JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-17 US disclosed
US-8222177-B2 Catalyst and reaction process JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-17 US disclosed
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-24 US disclosed
US-20110054190-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-03 US disclosed
US-20110054190-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-03 US disclosed
WO-2009096409-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-06 WO disclosed
WO-2009096409-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-06 WO 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-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD DAO, DDC, DCTD ALDH1A1 131/4885CYP2C19 595/4885L3MBTL1 4200/4885
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD DAO, DDC, DCTD ALDH1A1 131/4885CYP2C19 595/4885L3MBTL1 4200/4885
US-20110054190-A1 CATALYST AND REACTION PROCESS ME1, MAL2, ME2 ALDH1A1 1375/4885CYP2C19 148/4885L3MBTL1 2658/4885

“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.