SCHEMBL3723677

SCHEMBL3723677

CCNC(=O)C(CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1)(C(=O)NCC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOB P04114 9/20 0.47
MTTP P55157 14/20 0.46
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL3726876 0.89 SMN1; SMN2 (0.48) APOBMTTPALDH1A1RAB9ASMN1; SMN2
SCHEMBL3727324 0.88 MTTP (0.46) APOBMTTPSMN1; SMN2MAPTLMNA
SCHEMBL3737474 0.87 MTTP (0.41) MTTPALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3730634 0.84 MTTP (0.43) APOBMTTPALDH1A1
SCHEMBL3727423 0.84 MTTP (0.48) MTTPGAALMNA
SCHEMBL3727440 0.83 APOB (0.45) APOBMTTPRAB9ANPC1GAA
SCHEMBL3732810 0.83 MTTP (0.47) APOBMTTPALDH1A1
SCHEMBL3727619 0.82 SMN1; SMN2 (0.62) APOBMTTPALDH1A1RAB9ASMN1; SMN2
SCHEMBL3725729 0.82 APOB (0.52) APOBMTTPALDH1A1RAB9ASMN1; SMN2
SCHEMBL3725075 0.82 MTTP (0.51) APOBMTTPSMN1; SMN2MEN1KMT2A

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 11 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-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
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-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 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 APOB 39/4885MTTP 3/4885ALDH1A1 564/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP APOB 44/4885MTTP 3/4885ALDH1A1 603/4885

“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.