Sugi Predict

Sugi Predict / Compounds / SCHEMBL7220710

SCHEMBL7220710

SCHEMBL7220710

CC(C)(C)[Si](Oc1ccc(Br)c(C=O)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.33
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ ERN1 O75460 1/20 0.32
▸ LMNA P02545 4/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ FBP1 P09467 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ PRTN3 P24158 1/20 0.30

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
SCHEMBL7091278 0.81 TDP1 (0.39) ERN1LMNAKMT2AMEN1MAPT
SCHEMBL6841139 0.81 CA12 (0.48) PRKDCCA12CA1CA9ERN1
SCHEMBL7139756 0.80 ABL1 (0.31) CA12CA1CA9ABL1
SCHEMBL9020222 0.80 HAO1 (0.38) LMNAKMT2AMEN1MAPTABL1
SCHEMBL7259643 0.78 KDM4E (0.37) KMT2AMEN1PKMABL1ALDH1A1
SCHEMBL3548569 0.77 ALDH1A1 (0.43) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL4521425 0.76 MAOA (0.47) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL7227612 0.76 SMN1; SMN2 (0.32) ABL1
SCHEMBL7220738 0.76 ABL1 (0.33) ABL1
SCHEMBL7221524 0.75 ABL1 (0.30) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610722-B2 Peptidomimetic macrocyclic compounds that comprise a bicyclic imidazolyl moiety and that do not contain thiol moieties; e.g., 3,5-ethano-6,10:12,16-dimetheno-22H-imidazo (3,4-h)(1,8,11,14)oxatriazacycloeicosine-9-carbonitrile MERCK & CO., INC. 2003-08-26 — — US disclosed
US-6534506-B2 For therapy of cancer, neurofibromin benign proliferative disorder; blindness related to retinal vascularization; infections from hepatitis delta and related viruses; prophylaxis of restenosis; polycystic kidney disease MERCK & CO., INC. 2003-03-18 — — US disclosed
US-20020123497-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-09-05 — — US disclosed
US-20020068747-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-06-06 — — US disclosed
WO-2001077116-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-10-18 — — WO disclosed
WO-2001077114-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-10-18 — — 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-20020068747-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS PRKDC 410/4885CA12 4299/4885CA1 4262/4885
US-20020123497-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS PRKDC 376/4885CA12 4267/4885CA1 4210/4885

“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.