SCHEMBL9977572

SCHEMBL9977572

CC(C)(CCC(=O)c1ccc(F)cc1)[Si](C)(C)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HTR7 P34969 1/20 0.51
LMNA P02545 1/20 0.45
PTPN1 P18031 1/20 0.44
PLOD2 O00469 1/20 0.44
CTNNB1 P35222 2/20 0.43
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PAX8 Q06710 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 2/20 0.41
MEN1 O00255 2/20 0.40
WNT3A P56704 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 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
SCHEMBL10327074 0.83 MAPT (0.48) NPC1RAB9ALMNAPTPN1PLOD2
SCHEMBL22624012 0.81 NPC1 (0.62) NPC1RAB9AHTR7LMNAPTPN1
SCHEMBL23891716 0.78 NPC1 (0.58) NPC1RAB9AHTR7LMNAPTPN1
SCHEMBL9977570 0.78 HTR7 (0.33) NPC1RAB9AHTR7LMNAPTPN1
SCHEMBL9977598 0.77 TBXAS1 (0.37) NPC1RAB9AHTR7LMNAHTT
SCHEMBL9977594 0.77 TBXAS1 (0.37) NPC1RAB9AHTR7LMNAHTT
SCHEMBL9977571 0.76 PTGS1 (0.34) NPC1RAB9AHTR7
SCHEMBL9977545 0.76 PTGS1 (0.34) NPC1RAB9AHTR7
SCHEMBL2074096 0.75 NPC1 (0.64) NPC1RAB9AHTR7LMNAPTPN1
SCHEMBL9977551 0.75 PTGS1 (0.33)

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
EP-2465847-B1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2016-10-12 EP disclosed
US-8623855-B2 Azetidinone compounds and medical use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2014-01-07 US disclosed
US-20120208994-A1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2012-08-16 US disclosed
EP-2465847-A1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2012-06-20 EP 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-20120208994-A1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF CYP46A1, APOB, CETP NPC1 12/4885RAB9A 2471/4885HTR7 3534/4885

“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.