SCHEMBL1244191

SCHEMBL1244191

CCOC(=O)c1cc2occ(C(C)C)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 6/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
ALOX15 P16050 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL1244837 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL12777569 0.82 KDM4E (0.43) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL1244068 0.82 DAO (0.46) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL1244910 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL1244597 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL1244792 0.81 DAO (0.61) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL1243969 0.80 DAO (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL1245049 0.80 CDK1 (0.44) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL1243956 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL1245203 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2

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 9 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
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
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 ALDH1A1 866/4885KDM4E 2644/4885HPGD 1217/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 ALDH1A1 622/4885KDM4E 2046/4885HPGD 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.