Sugi Predict

Sugi Predict / Compounds / SCHEMBL6694072

SCHEMBL6694072

SCHEMBL6694072

CCOC(=O)CC(c1cccc2ccccc12)c1c[nH]c2cc(O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 10/20 0.43
▸ MGAM O43451 9/20 0.43
▸ SI P14410 9/20 0.43
▸ MGAM2 Q2M2H8 9/20 0.43
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MDM2 Q00987 1/20 0.39
▸ GPR84 Q9NQS5 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 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
SCHEMBL6699406 0.89 PKM (0.41) GAAMGAMSIMGAM2PKM
SCHEMBL6702687 0.87 ALDH1A1 (0.48) GAAMGAMSIMGAM2KMT2A
SCHEMBL6165678 0.86 GAA (0.49) GAAMGAMSIMGAM2PKM
SCHEMBL6692286 0.85 GAA (0.52) GAAMGAMSIMGAM2PKM
SCHEMBL6698286 0.84 GAA (0.40) GAAMGAMSIMGAM2PKM
SCHEMBL6694980 0.82 GAA (0.47) GAAMGAMSIMGAM2PKM
SCHEMBL6695205 0.82 GAA (0.57) GAAMGAMSIMGAM2PKM
SCHEMBL6697744 0.81 PKM (0.38) GAAMGAMSIMGAM2PKM
SCHEMBL6697051 0.81 GAA (0.52) GAAMGAMSIMGAM2PKM
SCHEMBL6697141 0.81 POLB (0.37) GAAMGAMSIMGAM2PKM

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 5 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
EP-1254133-A2 INDOL-3-YL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-06 — — EP disclosed
WO-2001058893-A2 INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2001-08-16 — — WO 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 3469/4885MGAM 811/4885SI 121/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R GAA 3882/4885MGAM 1542/4885SI 918/4885

“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.