SCHEMBL3729112

SCHEMBL3729112

O=C(O)Cc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.58
MTTP P55157 7/20 0.57
APOB P04114 6/20 0.57
FFAR1 O14842 1/20 0.56
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
PPARA Q07869 1/20 0.54
PTGS1 P23219 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54
APH1A Q96BI3 1/20 0.54
PSENEN Q9NZ42 1/20 0.54
NPC1 O15118 1/20 0.53

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
SCHEMBL6789828 0.89 PTGS1 (0.58) MTTPAPOBCHRNB2CHRNB4CHRNA3
SCHEMBL6793895 0.88 FFAR1 (0.57) NR1H4MTTPAPOBFFAR1CHRNB2
SCHEMBL13351330 0.87 KDM4E (0.59) NR1H4MTTPAPOBPTGS1SMN1; SMN2
SCHEMBL6792171 0.87 NR1H4 (0.72) NR1H4MTTPAPOBCHRNB2CHRNB4
SCHEMBL6239639 0.87 NR1H4 (0.73) NR1H4FFAR1CHRNB2CHRNB4CHRNA3
SCHEMBL31393757 0.87 CHRNB2 (0.71) MTTPAPOBCHRNB2CHRNB4CHRNA3
SCHEMBL6791269 0.87 PTGS1 (0.59) MTTPAPOBCHRNB2CHRNB4CHRNA3
SCHEMBL6788109 0.87 MTTP (0.56) MTTPAPOBCHRNB2CHRNB4CHRNA3
SCHEMBL6787993 0.86 MTTP (0.54) NR1H4MTTPAPOBFFAR1CHRNB2
SCHEMBL6793291 0.85 PTGS1 (0.56) MTTPAPOBCHRNB2CHRNB4CHRNA3

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 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
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 US disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO 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 (3 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 NR1H4 27/4885MTTP 3/4885APOB 39/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP NR1H4 21/4885MTTP 3/4885APOB 44/4885
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 NR1H4 245/4885MTTP 363/4885APOB 1/4885

“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.