SCHEMBL819844

SCHEMBL819844

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
GAA P10253 2/20 0.39
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
MEN1 O00255 1/20 0.39
G6PD P11413 1/20 0.39
ALKBH2 Q6NS38 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38
FTO Q9C0B1 1/20 0.38

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
SCHEMBL2140261 0.87 ALDH1A1 (0.53) ALDH1A1CYP2C19L3MBTL1ATMTDP1
SCHEMBL12952524 0.74 ALDH1A1 (0.41) ALDH1A1CYP2C19L3MBTL1ATMTDP1
SCHEMBL13760019 0.73 ALDH1A1 (0.39) ALDH1A1CYP2C19L3MBTL1ATMTDP1
SCHEMBL16594812 0.70 NPSR1 (0.46) ALDH1A1L3MBTL1ATMTDP1KMT2A
SCHEMBL16594811 0.70 NPSR1 (0.46) ALDH1A1L3MBTL1ATMTDP1KMT2A
SCHEMBL810827 0.68 TACR1 (0.43) ALDH1A1L3MBTL1ATMTDP1KMT2A
SCHEMBL29653766 0.68 HTT (0.49) ALDH1A1L3MBTL1ATMTDP1KMT2A
SCHEMBL28731877 0.68 HTT (0.49) ALDH1A1L3MBTL1ATMTDP1KMT2A
SCHEMBL7632815 0.68 MEN1 (0.56) ALDH1A1CYP2C19KMT2AHTTNPC1
SCHEMBL7632818 0.68 MEN1 (0.56) ALDH1A1CYP2C19KMT2AHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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.