SCHEMBL15434331

SCHEMBL15434331

CC(C)(C)OC(=O)N[C@@H](CCCCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
CTSK P43235 7/20 0.41
PPARA Q07869 3/20 0.40
CTSS P25774 5/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
PPARG P37231 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL28535602 0.97 ATM (0.43) ATMCTSKPPARACTSSHDAC4
SCHEMBL30096598 0.97 ATM (0.43) ATMCTSKPPARACTSSHDAC4
SCHEMBL31232348 0.92 ATM (0.45) ATMCTSKPPARACTSSPPARG
SCHEMBL5220048 0.92 ATM (0.45) ATMCTSKPPARACTSSPPARG
SCHEMBL15434434 0.89 MAPT (0.48) ATMCTSKMAPTSYKALDH1A1
SCHEMBL20514687 0.89 MMP1 (0.34) PPARAALDH1A1TSHR
SCHEMBL20514686 0.89 MMP1 (0.34) PPARAALDH1A1TSHR
SCHEMBL20514702 0.89 MAPT (0.45) ATMCTSKCTSSCTSLCTSB
SCHEMBL20514703 0.89 MAPT (0.45) ATMCTSKCTSSCTSLCTSB
SCHEMBL31048296 0.88 ATM (0.45) ATMCTSKPPARACTSSPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079834-B2 HIV protease inhibitors MERCK CANADA INC. (CA) 2015-07-14 US disclosed
US-20140018325-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-01-16 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 (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-20140018325-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN ATM 2390/4885CTSK 78/4885PPARA 4236/4885

“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.