SCHEMBL2023508

SCHEMBL2023508

CC(C)(Oc1ccc(CCNC(=NC#N)c2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.71
PPARD Q03181 5/20 0.71
PPARG P37231 3/20 0.71
ALDH1A1 P00352 2/20 0.71
FABP2 P12104 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
KDM4E B2RXH2 2/20 0.57
PKM P14618 1/20 0.57
SLC22A12 Q96S37 1/20 0.53
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48

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
SCHEMBL2023506 1.00 PPARA (0.71) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL24630553 0.84 PPARA (0.79) PPARAPPARDPPARGALDH1A1FABP2
Bezafibrate SCHEMBL5077755 0.83 PPARA (1.00) PPARAPPARDPPARGALDH1A1FABP2
Bezafibrate SCHEMBL16299 0.83 PPARA (1.00) PPARAPPARDPPARGALDH1A1FABP2
Bezafibrate SCHEMBL3088387 0.82 PPARA (0.98) PPARAPPARDPPARGALDH1A1FABP2
Bezafibrate SCHEMBL22364278 0.82 PPARA (0.98) PPARAPPARDPPARGALDH1A1FABP2
Bezafibrate SCHEMBL28565716 0.82 PPARA (0.98) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL11571032 0.81 PPARA (0.78) PPARAPPARDPPARGALDH1A1FABP2
Bezafibrate SCHEMBL15156489 0.80 PPARA (0.91) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL11571667 0.79 PPARA (0.75) PPARAPPARDPPARGALDH1A1FABP2

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
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US claimed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 PPARA 650/4885PPARD 396/4885PPARG 695/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 PPARA 1698/4885PPARD 1799/4885PPARG 1797/4885

“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.