SCHEMBL1242703

SCHEMBL1242703

CC=Cc1coc2cc(C(=O)O)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.56
GPR35 Q9HC97 2/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EIF4A3 P38919 2/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1242700 1.00 DAO (0.56) DAOGPR35HPGDKDM4EALDH1A1
SCHEMBL1244885 0.83 DAO (0.61) DAOGPR35HPGDKDM4EALDH1A1
SCHEMBL1244142 0.81 DAO (0.59) DAOGPR35HPGDKDM4EALDH1A1
SCHEMBL1244698 0.81 DAO (0.53) DAOHPGDKDM4EALDH1A1MEN1
SCHEMBL1244700 0.81 DAO (0.53) DAOHPGDKDM4EALDH1A1MEN1
SCHEMBL12890085 0.81 ALDH1A1 (0.40) DAOHPGDKDM4EALDH1A1LMNA
SCHEMBL1242714 0.76 DAO (0.65) DAOGPR35HPGDKDM4EALDH1A1
SCHEMBL1244073 0.73 DAO (0.65) DAOGPR35HPGDKDM4EALDH1A1
SCHEMBL1244762 0.72 DAO (1.00) DAOGPR35HPGDALDH1A1ALOX15
SCHEMBL1244217 0.72 DAO (0.65) DAOGPR35HPGDKDM4EALDH1A1

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-7884124-B2 such as 2-Fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate acid, used for the treatment of neuropathic pain, Alzheimer's disease, schizophrenia, ataxia and convulsions SEPRACOR INC. (US) 2011-02-08 US disclosed
US-20100029741-A1 FUSED HETEROCYCLES SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100022612-A1 FUSED HETEROCYCLES SEPRACOR INC. (US) 2010-01-28 US disclosed
US-7579370-B2 Fused heterocycles SEPRACOR INC. (US) 2009-08-25 US disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 US disclosed
US-20080004328-A1 FUSED HETEROCYCLES SEPRACOR INC. (US) 2008-01-03 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 (5 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-20100022612-A1 FUSED HETEROCYCLES AHR, HAX1, HRH3 DAO 2452/4885GPR35 833/4885HPGD 1789/4885
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase DAO, DDO, AOX1 DAO 1/4885GPR35 3228/4885HPGD 1217/4885
US-20100029741-A1 FUSED HETEROCYCLES CHRNA4, CHRNB4, CHRNA3 DAO 1545/4885GPR35 496/4885HPGD 1302/4885
US-20080004328-A1 FUSED HETEROCYCLES HRH3, HRH4, AHR DAO 2936/4885GPR35 877/4885HPGD 2102/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 DAO 1/4885GPR35 3379/4885HPGD 2178/4885

“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.