Sugi Predict

Sugi Predict / Compounds / SCHEMBL3611079

SCHEMBL3611079

SCHEMBL3611079

CC(C)(C)OC(=O)N[C@@H](COc1ccccc1)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ HDAC3 O15379 3/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC7 Q8WUI4 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC10 Q969S8 3/20 0.42
▸ HDAC11 Q96DB2 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC9 Q9UKV0 3/20 0.42
▸ HDAC5 Q9UQL6 3/20 0.42
▸ MTNR1A P48039 3/20 0.42
▸ MTNR1B P49286 3/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ BTN3A1 O00481 1/20 0.41
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40

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
SCHEMBL3611076 1.00 ATM (0.46) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL30618353 0.83 AAK1 (0.41) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL19382648 0.82 ATM (0.51) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL16491285 0.82 AAK1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3607294 0.81 ATM (0.50) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL3607295 0.81 ATM (0.50) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL6854849 0.80 AAK1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30639552 0.80 ATM (0.65) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL3611694 0.80 ATM (0.46) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL3611698 0.80 ATM (0.46) ATMHDAC3HDAC4HDAC1HDAC7

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-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 — — EP disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 — — US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 — — 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 ATM 3337/4885HDAC3 1223/4885HDAC4 1425/4885

“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.