SCHEMBL3727082

SCHEMBL3727082

CCNC(=O)C(COC(=O)Cc1ccc(OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1)(C(=O)NCC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTTP P55157 11/20 0.42
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3727276 0.92 MTTP (0.41) MTTPPDCD1CD274PPARGPPARA
SCHEMBL3725953 0.88 PDCD1 (0.40) MTTPPDCD1CD274PPARGPPARA
SCHEMBL3729238 0.88 PPARD (0.40) MTTPPPARGPPARAGAASMN1; SMN2
SCHEMBL3726294 0.86 MTTP (0.48) MTTPMAPTSMN1; SMN2
SCHEMBL3726027 0.86 PDCD1 (0.41) MTTPPDCD1CD274PPARGPPARA
SCHEMBL3737474 0.82 MTTP (0.41) MTTPPDCD1CD274GAANPC1
SCHEMBL3734741 0.82 MTTP (0.46) MTTP
SCHEMBL3723765 0.81 MTTP (0.46) MTTP
SCHEMBL3726011 0.81 MTTP (0.52) MTTP
SCHEMBL3727088 0.81 MTTP (0.46) MTTPPPARGPPARA

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 9 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-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 MTTP 3/4885PDCD1 3484/4885CD274 3542/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP MTTP 3/4885PDCD1 3859/4885CD274 3818/4885

“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.