SCHEMBL2828182

SCHEMBL2828182

CC(C)(Oc1ccc(Cl)cc1F)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
HSD11B2 P80365 1/20 0.46
PPARA Q07869 7/20 0.44
PPARG P37231 6/20 0.44
SCN9A Q15858 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GCK P35557 1/20 0.38
PDE2A O00408 1/20 0.38
EPHX2 P34913 1/20 0.38
S1PR4 O95977 1/20 0.38

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
SCHEMBL1417566 0.86 PPARA (0.56) HSD11B1HSD11B2PPARAPPARGPTGDR2
SCHEMBL2668164 0.84 GCK (0.45) MEN1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL1417502 0.84 HSD11B1 (0.51) HSD11B1HSD11B2PPARAPPARGPTGDR2
SCHEMBL22688970 0.82 HSD11B1 (0.44) HSD11B1HSD11B2PPARAPPARGPTGDR2
SCHEMBL2824290 0.80 PPARA (0.61) HSD11B1HSD11B2PPARAPPARGPTGDR2
SCHEMBL24252062 0.79 SLC6A4 (0.44) HSD11B1HSD11B2PPARAPPARGMRGPRX4
SCHEMBL22705605 0.77 ALDH1A1 (0.46) HSD11B1HSD11B2MEN1CYP3A4MAPT
SCHEMBL23519094 0.76 PPARA (0.51) HSD11B1HSD11B2PPARAPPARGPTGDR2
SCHEMBL8549769 0.75 SLC6A4 (0.41) HSD11B1HSD11B2PPARAPPARGMRGPRX4
SCHEMBL18115522 0.75 PPARG (0.50) PPARAPPARGSCN9AMRGPRX4KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
CN-102459158-A Novel amide and amidine derivatives and use thereof ABBOTT LAB 2012-05-16 CN 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 (1 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 HSD11B1 2/4885HSD11B2 1/4885PPARA 650/4885

“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.