SCHEMBL1992790

SCHEMBL1992790

CN(C)C([C]=O)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
KAT2B Q92831 1/20 0.35
OPRM1 P35372 1/20 0.34
HIF1A Q16665 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
MC4R P32245 1/20 0.33
CNR2 P34972 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL1994396 1.00 CES2 (0.37) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL1992791 1.00 CES2 (0.37) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL1996852 0.77 NISCH (0.49) CYP3A4CYP2C9MAPTKAT2BOPRM1
SCHEMBL1996851 0.77 NISCH (0.49) CYP3A4CYP2C9MAPTKAT2BOPRM1
SCHEMBL1999803 0.77 ACP3 (0.41) CYP3A4HIF1AIDO1TDO2GAA
SCHEMBL7066650 0.76 GABRA1 (0.36) CYP3A4MAPTOPRM1
SCHEMBL7066653 0.76 GABRA1 (0.36) CYP3A4MAPTOPRM1
SCHEMBL1992582 0.74 CYP1A2 (0.46) CYP2C9ALDH1A1CYP2C19
SCHEMBL6141021 0.74 CYP3A4 (0.40) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL3213462 0.73 ACHE (0.39) CES2CES1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US claimed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 US claimed
US-10654807-B2 Toll-like receptor 8 agonists THE UNIVERSITY OF KANSAS (US) 2020-05-19 US disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160347715-A1 Toll-Like Receptor 8 Agonists THE UNIVERSITY OF KANSAS 2016-12-01 US disclosed
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS INC. (US) 2016-08-11 US disclosed
EP-3046924-A1 HEPATITIS C VIRUS INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2016-07-27 EP disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 US disclosed
WO-2015095780-A1 TOLL-LIKE RECEPTOR 8 AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-06-25 WO disclosed
WO-2015042375-A1 HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2015-03-26 WO disclosed
WO-2011075615-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 WO disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US disclosed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US disclosed
US-7084110-B2 Anticarcinogenic agents for treating cancer; pentapeptides, hexapeptides, heptapeptides, oligopeptides ABBOTT GMBH & CO., KG (DE) 2006-08-01 US disclosed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 US disclosed
US-6458765-B1 POLYPEPTIDES AS ANTICANCER AGENTS AND AGAINST CELL PROLIFERATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 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 (9 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 CES2 1778/4885CES1 1599/4885MEN1 3805/4885
US-10654807-B2 Toll-like receptor 8 agonists TLR8, TLR7, TLR1 CES2 2497/4885CES1 3459/4885MEN1 4436/4885
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO CES2 4598/4885CES1 1022/4885MEN1 3561/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 CES2 115/4885CES1 40/4885MEN1 4787/4885
US-20030153505-A1 Dolastatin 15 derivatives DBI, DDOST, BDKRB1 CES2 4513/4885CES1 906/4885MEN1 3701/4885
US-20160347715-A1 Toll-Like Receptor 8 Agonists TLR8, TLR7, TLR1 CES2 2497/4885CES1 3459/4885MEN1 4436/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 CES2 1778/4885CES1 1599/4885MEN1 3805/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO CES2 4598/4885CES1 1022/4885MEN1 3561/4885
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, LIPC, LDHB CES2 476/4885CES1 426/4885MEN1 4854/4885

“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.