SCHEMBL598564

SCHEMBL598564

[CH2]C(O)CN(C)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CRY1 Q16526 6/20 0.40
CRY2 Q49AN0 6/20 0.40
PER2 O15055 4/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 1/20 0.37
MMP3 P08254 1/20 0.31

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
SCHEMBL18312607 0.78 MEN1 (0.43) MEN1KMT2ACRY1CRY2PER2
SCHEMBL10510602 0.78 MEN1 (0.43) MEN1KMT2ACRY1CRY2PER2
SCHEMBL12376988 0.74 CRY1 (0.46) MEN1KMT2ACRY1CRY2PER2
SCHEMBL17055854 0.74 CRY1 (0.46) MEN1KMT2ACRY1CRY2PER2
SCHEMBL26471765 0.74 CRY1 (0.46) MEN1KMT2ACRY1CRY2PER2
SCHEMBL15627010 0.74 CRY1 (0.46) MEN1KMT2ACRY1CRY2PER2
SCHEMBL10403738 0.73 MEN1 (0.39) MEN1KMT2ACRY1CRY2PER2
SCHEMBL6755694 0.72 MMP1 (0.43) MEN1KMT2ACRY1CRY2PER2
SCHEMBL18312488 0.71 CRY1 (0.44) MEN1KMT2ACRY1CRY2PER2
SCHEMBL10401980 0.71 MEN1 (0.38) MEN1KMT2ACRY1CRY2PER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP claimed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US claimed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 WO claimed
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP disclosed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US disclosed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 WO 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-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same HTR2C, HTR3A, HTR3C MEN1 2548/4885KMT2A 2718/4885CRY1 4371/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C MEN1 2548/4885KMT2A 2718/4885CRY1 4371/4885

“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.