SCHEMBL5355666

SCHEMBL5355666

NC(=O)CC(O)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
KDM4E B2RXH2 4/20 0.39
CYP3A4 P08684 2/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C19 P33261 1/20 0.39
BCAT2 O15382 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
HTR3A P46098 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL3526103 0.82 MMP12 (0.47) GRM8GRM4KDM4ECYP3A4CYP1A2
SCHEMBL4449939 0.82 MMP12 (0.47) GRM8GRM4KDM4ECYP3A4CYP1A2
SCHEMBL354141 0.80 CYP3A4 (0.38) L3MBTL1GRM8GRM4KDM4ECYP3A4
SCHEMBL1847912 0.79 BCAT2 (0.58) L3MBTL1KDM4ECYP1A2ADORA3CYP2D6
SCHEMBL11896972 0.79 BCAT2 (0.58) L3MBTL1KDM4ECYP1A2ADORA3CYP2D6
SCHEMBL7385340 0.78 KDM4E (0.39) L3MBTL1GRM8GRM4KDM4ECYP3A4
SCHEMBL1678301 0.78 ACHE (0.41) L3MBTL1KDM4ECYP3A4MPOCYP1A2
SCHEMBL27956700 0.78 L3MBTL1 (0.49) L3MBTL1GRM8GRM4KDM4ETSHR
SCHEMBL3443640 0.78 TAAR1 (0.57) L3MBTL1KDM4ECYP3A4CYP1A2ADORA3
SCHEMBL2203786 0.77 CYP2C19 (0.56) CYP1A2ADORA3CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US claimed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 US claimed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 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 (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-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 L3MBTL1 1685/4885GRM8 3510/4885GRM4 2357/4885

“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.