SCHEMBL6139965

SCHEMBL6139965

CCOC(=O)c1cc(I)c(O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.51
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA7 P43166 6/20 0.51
CA9 Q16790 6/20 0.51
CA14 Q9ULX7 6/20 0.51
CYP3A4 P08684 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
TSHR P16473 1/20 0.47
USP2 O75604 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 1/20 0.44
HSD17B2 P37059 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL28654509 0.84 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1764082 0.82 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL14409745 0.82 TSHR (0.50) CA12CA1CA2CA7CA9
SCHEMBL16302043 0.81 TSHR (0.61) CA12CA1CA2CA7CA9
SCHEMBL18311390 0.81 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL23767907 0.79 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL18703599 0.79 CA1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL20366895 0.78 HSD17B2 (0.62) CA12CA1CA2CA7CA9
SCHEMBL18209405 0.77 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL8067722 0.77 CA12 (0.53) CA12CA1CA2CA7CA9

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
CN-1246315-C Aminoalkylbenzoyl-benzofuran or benzothiophene derivatives, process for their preparation and compositions containing them SANOFI SYNTHELABO (FR) 2006-03-22 CN disclosed
US-6949583-B2 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI-SYNTHELABO (FR) 2005-09-27 US disclosed
CN-1471521-A Amino alkoxybenzoyl-benzofuran or benzothiophene derivatives, methods for preparing same and compositions containing same ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-01-28 CN disclosed
US-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI (FR) 2003-12-04 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-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same NR2C2, NR4A2, NR5A2 CA12 3678/4885CA1 4104/4885CA2 2801/4885

“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.