SCHEMBL730020

SCHEMBL730020

COC(=O)C(C)(C)c1ccc(C)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CFTR P13569 1/20 0.43
ALDH1A1 P00352 5/20 0.38
CASP1 P29466 2/20 0.38
GAA P10253 2/20 0.37
KCNN4 O15554 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 2/20 0.36
BRS3 P32247 1/20 0.36
TSHR P16473 1/20 0.35
JAK3 P52333 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL730091 0.82 CNR1 (0.48) CNR1CNR2MAPTCFTRALDH1A1
SCHEMBL29990598 0.82 CNR2 (0.48) CNR1CNR2MAPTCFTRALDH1A1
SCHEMBL25171663 0.82 CNR2 (0.48) CNR1CNR2MAPTCFTRALDH1A1
Hydrochloric Acid SCHEMBL6978330 0.81 ALDH1A1 (0.50) CNR1CNR2MAPTTDP1CFTR
SCHEMBL24820793 0.80 CNR2 (0.46) CNR1CNR2MAPTCFTRALDH1A1
SCHEMBL31357589 0.80 CNR2 (0.60) CNR1CNR2MAPTTDP1CFTR
SCHEMBL23582257 0.80 CNR2 (0.60) CNR1CNR2MAPTTDP1CFTR
SCHEMBL27641262 0.80 CNR1 (0.46) CNR1CNR2MAPTTDP1CFTR
SCHEMBL9612065 0.79 CNR1 (0.48) CNR1CNR2CFTRALDH1A1CASP1
SCHEMBL15456896 0.79 ALDH1A1 (0.50) CNR1CNR2MAPTTDP1CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666473-B1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-02 EP disclosed
US-8138335-B2 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-20 US disclosed
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 US disclosed
US-7601712-B2 Such as (1)-2-(4-chloro-3-((2-chloro-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ly)methoxy)benzoyl)amino)phenyl)-2-methylpropanoic acid; prostaglandin receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 US disclosed
US-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-04 US disclosed
EP-1666473-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-07 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-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT GPR17, CYSLTR1, KIT CNR1 133/4885CNR2 157/4885MAPT 1750/4885
US-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient GPR17, CYSLTR1, KIT CNR1 133/4885CNR2 157/4885MAPT 1750/4885

“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.