SCHEMBL6049263

SCHEMBL6049263

CC(C)(C)OC(=O)c1cc2ccccc2n1Br

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
NR1H2 P55055 8/20 0.41
DAO P14920 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NR1H3 Q13133 3/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
NOD2 Q9HC29 2/20 0.39
NOD1 Q9Y239 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC9A1 P19634 1/20 0.38
CNR2 P34972 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL17995256 0.83 MCL1 (0.61) MCL1DAOMEN1KMT2ASLC9A1
SCHEMBL3635435 0.83 MTNR1A (0.52) MCL1DAOALDH1A1TSHRNOD2
SCHEMBL29524946 0.81 NR1H2 (0.55) NR1H2NR1H3CA12CA9NOD2
SCHEMBL387114 0.81 MCL1 (0.43) MCL1NR1H2DAOALDH1A1TSHR
SCHEMBL4791517 0.79 NOD2 (0.60) MCL1ALDH1A1TSHRNOD2NOD1
SCHEMBL19410240 0.77 KMT2A (0.52) MCL1NR1H2ALDH1A1NOD2NOD1
SCHEMBL16264927 0.75 CNR2 (0.54) MCL1ALDH1A1NOD2NOD1MEN1
SCHEMBL319362 0.75 CNR2 (0.52) MCL1ALDH1A1NOD2NOD1MEN1
SCHEMBL2157437 0.75 DAO (0.65) MCL1DAOALDH1A1TSHRSLC9A1
SCHEMBL30396896 0.75 DAO (0.65) MCL1DAOALDH1A1TSHRSLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2006-11-23 US disclosed
EP-1311477-A4 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2005-01-12 EP disclosed
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-10-30 US disclosed
EP-1311477-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-05-21 EP disclosed
WO-2002016317-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 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 (2 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-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 MCL1 2687/4885NR1H2 1045/4885DAO 2185/4885
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 MCL1 2687/4885NR1H2 1045/4885DAO 2185/4885

“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.