SCHEMBL3722371

SCHEMBL3722371

CCNC(=O)C(CCOC(=O)c1ccc(OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(Cl)c1)(C(=O)NCC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.40
MRGPRX4 Q96LA9 4/20 0.39
MTTP P55157 7/20 0.38
PPARG P37231 2/20 0.37
NPC1 O15118 1/20 0.37
PDK2 Q15119 1/20 0.36
BACE1 P56817 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3730525 0.91 RORC (0.36) PPARDMRGPRX4MTTPPPARGNPC1
SCHEMBL3727525 0.89 PPARD (0.39) PPARDMRGPRX4MTTPPPARGBACE1
SCHEMBL3737474 0.87 MTTP (0.41) MTTPNPC1PDK2CYP2C9CYP2C19
SCHEMBL3729238 0.83 PPARD (0.40) PPARDMRGPRX4MTTPPPARGBACE1
SCHEMBL3723677 0.81 APOB (0.47) MTTPNPC1LMNA
SCHEMBL3727423 0.80 MTTP (0.48) MTTPPPARGLMNA
SCHEMBL3722374 0.77 MTTP (0.45) MTTP
SCHEMBL3727747 0.75 PDK2 (0.39) MTTPNPC1PDK2BACE1LMNA
SCHEMBL3733257 0.74 MTTP (0.56) MTTPPPARG
SCHEMBL3727324 0.74 MTTP (0.46) MTTPLMNA

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 PPARD 393/4885MRGPRX4 1073/4885MTTP 3/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP PPARD 359/4885MRGPRX4 950/4885MTTP 3/4885

“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.