Sugi Predict

Sugi Predict / Compounds / SCHEMBL921877

SCHEMBL921877

SCHEMBL921877

CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H](CCN2C(=O)COc3ccc(C#N)cc32)N(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ KMO O15229 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ RORC P51449 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL707924 0.92 KCNH2 (0.39) KCNH2ALDH1A1KMOMEN1KMT2A
SCHEMBL921531 0.83 KCNH2 (0.42) KCNH2ALDH1A1KMOMEN1KMT2A
SCHEMBL708389 0.83 KCNH2 (0.42) KCNH2ALDH1A1KMOMEN1KMT2A
SCHEMBL706371 0.83 KCNH2 (0.42) KCNH2ALDH1A1KMOMEN1KMT2A
SCHEMBL2700375 0.83 KCNH2 (0.42) KCNH2ALDH1A1KMOMEN1KMT2A
SCHEMBL921241 0.83 KCNH2 (0.42) KCNH2ALDH1A1KMOMEN1KMT2A
SCHEMBL707925 0.81 KCNH2 (0.39) KCNH2ALDH1A1KMOMEN1KMT2A
SCHEMBL706101 0.78 KCNH2 (0.40) KCNH2ALDH1A1KMOMEN1KMT2A
SCHEMBL706370 0.78 KCNH2 (0.40) KCNH2ALDH1A1KMOMEN1KMT2A
SCHEMBL1526206 0.73 KCNH2 (0.69) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 — — US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 — — EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 — — US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 — — 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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885ALDH1A1 2130/4885KMO 2826/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885ALDH1A1 2130/4885KMO 2826/4885

“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.