Sugi Predict

Sugi Predict / Compounds / SCHEMBL11980657

SCHEMBL11980657

SCHEMBL11980657

Cc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1I

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 17/20 0.59
▸ TSHR P16473 1/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ HSD17B10 Q99714 3/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL15010536 0.83 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL21136847 0.83 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL12663535 0.83 ALDH1A1 (0.66) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL1906767 0.82 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL21050879 0.82 ALDH1A1 (0.57) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL601203 0.80 ALDH1A1 (0.73) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL25418982 0.80 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL16604818 0.80 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL4157117 0.80 ALDH1A1 (0.58) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL12786989 0.79 ALDH1A1 (0.75) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10

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-20150133436-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases GLAXOSMITHKLINE LLC 2015-05-14 — — US disclosed
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 — — US disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 — — US disclosed
US-20120208800-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases GLAXOSMITHKLINE LLC 2012-08-16 — — 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 (3 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-20120208800-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases BRD4, BRD3, BRPF3 ALDH1A1 3661/4885TSHR 3330/4885CYP1A2 4616/4885
US-20150133436-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases BRD4, BRD3, BRPF3 ALDH1A1 3661/4885TSHR 3330/4885CYP1A2 4616/4885
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors BRD4, BRD3, BRPF3 ALDH1A1 2400/4885TSHR 2125/4885CYP1A2 1900/4885

“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.