SCHEMBL8864348

SCHEMBL8864348

CCCCCCCCCCCCC(F)(F)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
HTT P42858 1/20 0.47
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
LPAR1 Q92633 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
FAAH O00519 7/20 0.42
CES1 P23141 5/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL20654846 1.00 CES2 (0.58) CES2MEN1KMT2AMAPTATM
SCHEMBL31190467 1.00 CES2 (0.58) CES2MEN1KMT2AMAPTATM
SCHEMBL20654753 1.00 CES2 (0.58) CES2MEN1KMT2AMAPTATM
SCHEMBL8863676 1.00 CES2 (0.58) CES2MEN1KMT2AMAPTATM
SCHEMBL9495469 1.00 CES2 (0.58) CES2MEN1KMT2AMAPTATM
SCHEMBL23578179 1.00 CES2 (0.58) CES2MEN1KMT2AMAPTATM
SCHEMBL15059581 0.98 CES2 (0.55) CES2MEN1KMT2AMAPTATM
SCHEMBL1619413 0.92 CES2 (0.47) CES2MEN1KMT2AMAPTATM
SCHEMBL27351978 0.92 CYP4F2 (0.50) CES2MEN1KMT2AMAPTATM
SCHEMBL20654768 0.87 CYP4F2 (0.66) CES2MEN1KMT2AMAPTATM

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
CN-107556192-B Method for synthesizing ethyl 2, 2-difluorohexanoate 南京大学 2021-01-15 CN disclosed
US-20140309275-A1 Sphingosine Analogs, Compositions, and Methods Related Thereto UNIV EMORY (US) 2014-10-16 US disclosed
US-20140309275-A1 Sphingosine Analogs, Compositions, and Methods Related Thereto UNIV EMORY (US) 2014-10-16 US disclosed
US-20140309275-A1 Sphingosine Analogs, Compositions, and Methods Related Thereto UNIV EMORY (US) 2014-10-16 US disclosed
EP-2760820-A2 SPHINGOSINE ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO Emory University (US) 2014-08-06 EP disclosed
CN-103958457-A Sphingosine analogs, compositions, and methods related thereto UNIV EMORY 2014-07-30 CN disclosed
WO-2013049280-A2 SPHINGOSINE ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-04-04 WO disclosed
WO-2013049280-A2 SPHINGOSINE ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-04-04 WO disclosed
EP-0525479-B1 Spicamycin derivatives and the use thereof KIRIN BREWERY (JP) 1997-11-05 EP disclosed
US-5631238-A ANTICARCINOGENIC AGENTS KIRIN BEER KABUSHIKI KAISHA (JP) 1997-05-20 US disclosed
US-5461036-A Treating colon, gastric, esophageal cancer KIRIN BEER KABUSHIKI KAISHA (JP) 1995-10-24 US disclosed
EP-0525479-A1 Spicamycin derivatives and the use thereof KIRIN BEER KABUSHIKI KAISHA (JP) 1993-02-03 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 (1 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-20140309275-A1 Sphingosine Analogs, Compositions, and Methods Related Thereto SPHK1, S1PR1, S1PR2 CES2 1647/4885MEN1 245/4885KMT2A 584/4885

“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.