SCHEMBL3730528

SCHEMBL3730528

CCN(CC)C(=O)C(CCOC(=O)c1cc(Cl)c(OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(Cl)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTTP P55157 11/20 0.43
KLRK1 P26718 7/20 0.42
MICA Q29983 7/20 0.42
RAET1L Q5VY80 5/20 0.42
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 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
SCHEMBL3722374 0.91 MTTP (0.45) MTTPKLRK1MICARAET1LSCN1A
SCHEMBL3737476 0.87 MTTP (0.48) MTTPKLRK1MICARAET1LSCN1A
SCHEMBL3727528 0.83 MTTP (0.43) MTTPKLRK1MICARAET1L
SCHEMBL3729241 0.79 MTTP (0.45) MTTPKLRK1MICARAET1L
SCHEMBL3730525 0.76 RORC (0.36) MTTPKLRK1MICARAET1LSCN1A
SCHEMBL3727083 0.75 MTTP (0.48) MTTPKLRK1MICARAET1L
SCHEMBL6715449 0.68 MTTP (0.55) MTTP
SCHEMBL6718895 0.67 MTTP (0.52) MTTPKLRK1MICARAET1L
SCHEMBL6719615 0.67 MTTP (0.52) MTTPKLRK1MICARAET1L
SCHEMBL6719432 0.67 MTTP (0.54) MTTPKLRK1MICARAET1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US claimed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US claimed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP claimed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 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-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP MTTP 3/4885KLRK1 3360/4885MICA 3630/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP MTTP 3/4885KLRK1 3855/4885MICA 3640/4885

“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.