SCHEMBL1244684

SCHEMBL1244684

Cc1c(C(=O)O)[nH]c2ccsc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.50
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 3/20 0.45
PKM P14618 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
DAO P14920 2/20 0.43
PDPK1 O15530 1/20 0.39
PARP1 P09874 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.37
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 2/20 0.37

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
SCHEMBL1244935 0.81 TSHR (0.41) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL1244197 0.79 PDPK1 (0.46) GPR35ALDH1A1POLBDAOPDPK1
SCHEMBL1244690 0.79 DAO (0.43) GPR35ALDH1A1DAOPDPK1PARP1
SCHEMBL1243955 0.79 GPR35 (0.45) GPR35ALDH1A1DAOPDPK1PARP1
SCHEMBL11090377 0.76 DAO (0.41) GPR35ALDH1A1DAOPDPK1PARP1
SCHEMBL14267111 0.72 PDPK1 (0.41) ALDH1A1DAOPDPK1HPGDKDM4E
SCHEMBL11090067 0.71 DAO (0.40) GPR35ALDH1A1DAOPDPK1PARP1
SCHEMBL2816058 0.69 ALDH1A1 (0.67) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL2399274 0.68 ALDH1A1 (0.63) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL29897041 0.68 ALDH1A1 (0.63) ALDH1A1MEN1KMT2APOLBPKM

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 11 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-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-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
CN-101511832-A Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC (US) 2009-08-19 CN disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 US disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 US disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 US disclosed
WO-2008005456-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-10 WO disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE 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 (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-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase DAO, DDO, AOX1 GPR35 3228/4885ALDH1A1 866/4885MEN1 4776/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 GPR35 3379/4885ALDH1A1 622/4885MEN1 4749/4885

“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.