SCHEMBL2991253

SCHEMBL2991253

N#Cc1ccc(Oc2cccc3c(C=O)cccc23)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 1/20 0.38
AR P10275 3/20 0.36
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
USP30 Q70CQ3 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
ERN1 O75460 1/20 0.33

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
SCHEMBL2995303 0.94 CA1 (0.39) SLC22A12CYP11B1CYP11B2ARALDH1A1
SCHEMBL9710658 0.80 AR (0.42) SLC22A12CYP11B1CYP11B2ARTRPA1
SCHEMBL14026747 0.80 TRPA1 (0.39) TRPA1ALDH1A1HTTMEN1KMT2A
SCHEMBL15777889 0.79 AR (0.43) SLC22A12CYP11B1ARALDH1A1CA1
SCHEMBL2985025 0.78 AR (0.56) SLC22A12ARCA1CA2
SCHEMBL2989414 0.78 SLC6A4 (0.38) SLC22A12CYP11B1CYP11B2ARTRPA1
SCHEMBL2995697 0.76 PARP10 (0.44) TRPA1ALDH1A1HTTERN1
SCHEMBL2986493 0.74 ALOX5AP (0.41) ALDH1A1HTTKMT2AEGLN2
SCHEMBL2989756 0.74 SLC6A4 (0.43) CYP11B1ARALDH1A1CA1CA2
SCHEMBL16415691 0.73 CYP11B1 (0.40) SLC22A12CYP11B1CYP11B2ARUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 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 (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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 SLC22A12 828/4885CYP11B1 21/4885CYP11B2 20/4885

“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.