SCHEMBL2087952

SCHEMBL2087952

CC(C)(C)C(=O)Nc1ccccc1-c1ccccc1NC(=O)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.56
LCK P06239 1/20 0.53
CTSL P07711 1/20 0.53
PTPRC P08575 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
CTSS P25774 1/20 0.53
PTPN13 Q12923 1/20 0.53
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX12 P18054 2/20 0.50
LMNA P02545 1/20 0.50
TOP2A P11388 1/20 0.50
TACR1 P25103 1/20 0.50
RAB9A P51151 2/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL5706504 0.91 CETP (0.71) CETPL3MBTL1KDM4EMEN1KMT2A
SCHEMBL16767087 0.88 CETP (0.59) CETPL3MBTL1LCKCTSLPTPRC
SCHEMBL14447514 0.88 TACR1 (0.64) CETPMAPTKDM4EMEN1KMT2A
SCHEMBL8243174 0.88 CETP (0.62) CETPL3MBTL1MAPTTP53KDM4E
SCHEMBL1358972 0.84 CETP (0.54) CETPL3MBTL1LCKCTSLPTPRC
SCHEMBL397003 0.83 PDK1 (0.67) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL2301094 0.83 CETP (0.68) CETPL3MBTL1KDM4EMEN1KMT2A
SCHEMBL2556303 0.82 CETP (0.49) CETPL3MBTL1LCKCTSLPTPRC
SCHEMBL2909082 0.82 PDK1 (0.68) CETPL3MBTL1MAPTKDM4EMEN1
SCHEMBL1524281 0.82 CETP (0.61) CETPL3MBTL1MAPTTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163900-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-24 US disclosed
US-8163900-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-24 US disclosed
US-8163900-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-24 US disclosed
US-20100228024-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-09 US disclosed
US-20100228024-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-09 US disclosed
US-20100228024-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-09 US disclosed
US-7750149-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-06 US disclosed
US-7750149-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-06 US disclosed
US-7750149-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-06 US disclosed
EP-1879872-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-01-23 EP disclosed
WO-2006110198-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-10-19 WO disclosed
US-20060229448-A1 Seven-membered heterocyclic carbenes and their metal complexes NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-12 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 (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-20100228024-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES CYCS, COG7, SOD1 CETP 4280/4885L3MBTL1 4409/4885LCK 1479/4885
US-20060229448-A1 Seven-membered heterocyclic carbenes and their metal complexes CYCS, COG7, SOD1 CETP 4280/4885L3MBTL1 4409/4885LCK 1479/4885

“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.