Sugi Predict

Sugi Predict / Compounds / SCHEMBL6693907

SCHEMBL6693907

SCHEMBL6693907

CCOC(=O)CC(c1ccc2nsnc2c1)c1c[nH]c2cc(O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 12/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MGAM O43451 10/20 0.37
▸ SI P14410 10/20 0.37
▸ MGAM2 Q2M2H8 10/20 0.37
▸ IMPDH2 P12268 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GRK2 P25098 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33

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
SCHEMBL6696787 0.86 GAA (0.46) GAAKDM4EHSD17B10MGAMSI
SCHEMBL6697051 0.84 GAA (0.52) GAAMGAMSIMGAM2KMT2A
SCHEMBL6697141 0.83 POLB (0.37) GAAKDM4EHSD17B10MGAMSI
SCHEMBL6696915 0.83 GAA (0.43) GAAMGAMSIMGAM2KMT2A
SCHEMBL6170334 0.83 IMPDH2 (0.45) GAAMGAMSIMGAM2IMPDH2
SCHEMBL6165678 0.83 GAA (0.49) GAAKDM4EHSD17B10MGAMSI
SCHEMBL6697592 0.82 GAA (0.45) GAAKDM4EMGAMSIMGAM2
SCHEMBL6692363 0.82 MGAM (0.50) GAAMGAMSIMGAM2
SCHEMBL6692286 0.82 GAA (0.52) GAAHSD17B10MGAMSIMGAM2
SCHEMBL6694980 0.81 GAA (0.47) GAAKDM4EHSD17B10MGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138284-A1 Indol-3-yl derivatives WIESNER MATTHIAS 2004-07-15 — — US disclosed
US-6743810-B2 INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC MERCK PATENT GMBH (DE) 2004-06-01 — — US disclosed
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 — — 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-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 GAA 3469/4885KDM4E 3529/4885HSD17B10 1521/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R GAA 3882/4885KDM4E 2672/4885HSD17B10 3784/4885

“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.