SCHEMBL9977609

SCHEMBL9977609

COC(=O)C(C/C=C(\CCC(C)(C)[Si](C)(C)O)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
LMNA P02545 2/20 0.33
NOS2 P35228 6/20 0.33
NOS3 P29474 5/20 0.33
NOS1 P29475 5/20 0.33
TSHR P16473 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL9977600 1.00 ADRB2 (0.34) ADRB2ADRB1ADRB3LMNANOS2
SCHEMBL9977567 0.96 ADRB2 (0.36) ADRB2ADRB1ADRB3LMNANOS2
SCHEMBL9977595 0.96 ADRB2 (0.36) ADRB2ADRB1ADRB3LMNANOS2
SCHEMBL9977599 0.86 ADRB2 (0.34) ADRB2ADRB1ADRB3LMNANOS2
SCHEMBL9977601 0.80 CXCR1 (0.36) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL9977596 0.80 CXCR1 (0.36) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL9943703 0.80 BTN3A1 (0.41) ADRB2ADRB1ADRB3LMNANOS2
SCHEMBL9943671 0.80 BTN3A1 (0.41) ADRB2ADRB1ADRB3LMNANOS2
SCHEMBL9943672 0.80 BTN3A1 (0.41) ADRB2ADRB1ADRB3LMNANOS2
SCHEMBL9977594 0.78 TBXAS1 (0.37) LMNAPOLBGAA

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 ADRB2 350/4885ADRB1 142/4885ADRB3 93/4885

“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.