SCHEMBL4550889

SCHEMBL4550889

C[C@H](CC(C)(C)[Si](C)(C)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.37
CYP1A2 P05177 1/20 0.37
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
ENPEP Q07075 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BLM P54132 1/20 0.32
APAF1 O14727 2/20 0.31
TP53 P04637 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL4550793 1.00 GABRR1 (0.37) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL13448432 0.83
SCHEMBL13448433 0.83
SCHEMBL17147639 0.81
SCHEMBL13448111 0.79 SLC1A3 (0.39)
SCHEMBL13761744 0.78 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL4550792 0.78 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL15452092 0.76 APAF1 (0.39) ALDH1A1APAF1POLB
SCHEMBL18656597 0.76 APAF1 (0.39) ALDH1A1APAF1POLB
SCHEMBL19273823 0.76 APAF1 (0.39) ALDH1A1APAF1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233379-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-08-17 US disclosed
WO-2017040606-A1 ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-03-09 WO disclosed
WO-2016115090-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-07-21 WO disclosed
WO-2015196071-A9 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
WO-2015196071-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-12-23 WO disclosed
US-8168648-B2 Camptothecin derivatives and uses thereof TAIWAN LIPOSOME CO., LTD. (TW) 2012-05-01 US disclosed
US-20100227877-A1 NEW CAMPTOTHECIN DERIVATIVES AND USES THEREOF TAIWAN LIPOSOME CO. LTD. (TW) 2010-09-09 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-20100227877-A1 NEW CAMPTOTHECIN DERIVATIVES AND USES THEREOF LDHA, LDHB, TOP2A GABRR1 3137/4885CYP1A2 2660/4885FOLH1 561/4885
US-20170233379-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCB4, SCNN1B GABRR1 986/4885CYP1A2 4799/4885FOLH1 2888/4885

“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.