SCHEMBL464438

SCHEMBL464438

CNCCNP(=O)(O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR2 O95136 5/20 0.31
S1PR4 O95977 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR5 Q9H228 1/20 0.31
TYMS P04818 1/20 0.31
MMP1 P03956 1/20 0.30
MMP8 P22894 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
SCHEMBL10283300 0.80 CA12 (0.32) MMP1MMP8
SCHEMBL10640267 0.75
SCHEMBL15139569 0.73
SCHEMBL464614 0.73
SCHEMBL24260288 0.70
SCHEMBL762525 0.69
SCHEMBL24260621 0.68 CTSA (0.38)
SCHEMBL10283301 0.67 TSHR (0.34) TDP1
SCHEMBL3071835 0.66 MMP1 (0.38) ANPEPMMP1MMP8
SCHEMBL744518 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130164282-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. (US) 2013-06-27 US disclosed
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-09-29 US disclosed
US-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 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 (4 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-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 ANPEP 1748/4885ALDH1A1 3011/4885TDP1 879/4885
US-20130164282-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B ANPEP 2147/4885ALDH1A1 1266/4885TDP1 119/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 ANPEP 1102/4885ALDH1A1 2646/4885TDP1 1801/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 ANPEP 1102/4885ALDH1A1 2646/4885TDP1 1801/4885

“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.