SCHEMBL2083176

SCHEMBL2083176

CCOC(=O)/C(=C/N(C)C)C(=O)c1ccc(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPSR1 Q6W5P4 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP11B1 P15538 7/20 0.38
CYP11B2 P19099 6/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
DHODH Q02127 2/20 0.37
HPGD P15428 1/20 0.36
GAA P10253 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLIN1 O60240 1/20 0.35

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
SCHEMBL4567541 1.00 CES2 (0.47) CES2CES1KMT2AMEN1NPSR1
SCHEMBL2083177 1.00 CES2 (0.47) CES2CES1KMT2AMEN1NPSR1
SCHEMBL2079689 0.91 MEN1 (0.43) CES2CES1KMT2AMEN1NPSR1
SCHEMBL2079686 0.91 MEN1 (0.43) CES2CES1KMT2AMEN1NPSR1
SCHEMBL116506 0.90 KMT2A (0.40) CES2CES1KMT2AMEN1NPSR1
SCHEMBL1476623 0.90 KMT2A (0.40) CES2CES1KMT2AMEN1NPSR1
SCHEMBL1476620 0.90 KMT2A (0.40) CES2CES1KMT2AMEN1NPSR1
SCHEMBL4567521 0.86 MEN1 (0.40) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL3695378 0.86 MEN1 (0.40) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL9561731 0.86 MEN1 (0.40) KMT2AMEN1NPSR1MAPTLMNA

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-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP 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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L CES2 762/4885CES1 956/4885KMT2A 2835/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL CES2 1028/4885CES1 1176/4885KMT2A 3591/4885

“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.