SCHEMBL638964

SCHEMBL638964

CC(=O)C(=O)OP(=O)(O)CCN

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
GABBR2 O75899 3/20 0.35
GABBR1 Q9UBS5 3/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
LMNA P02545 2/20 0.34
BLM P54132 2/20 0.34
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
GABRR1 P24046 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA4 P22748 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
SCHEMBL4100201 0.87 ALDH1A1 (0.48) ALDH1A1GABBR2GABBR1CYP1A2TSHR
SCHEMBL4760429 0.76 LMNA (0.54) ALDH1A1GABBR2GABBR1CYP1A2TSHR
SCHEMBL4717100 0.74 LMNA (0.46) ALDH1A1GABBR2GABBR1CYP1A2TSHR
SCHEMBL8459566 0.72 ALDH1A1 (0.38) ALDH1A1GABBR2GABBR1CYP1A2TSHR
SCHEMBL6051946 0.71 ALDH1A1 (0.41) ALDH1A1GABBR2GABBR1CYP1A2TSHR
SCHEMBL23104805 0.70
SCHEMBL249493 0.69 CA4 (0.46) TSHRTHPOBLMCA4
SCHEMBL27763994 0.69 CA4 (0.33) TSHRTHPOCA4
SCHEMBL20481779 0.67 CA4 (0.43) TSHRTHPOBLMCA4
SCHEMBL4311069 0.67 CA4 (0.38) ALDH1A1LMNABLMCYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP claimed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO claimed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US claimed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20150240226-A1 NUCLEIC ACIDS AND PROTEINS AND METHODS FOR MAKING AND USING THEM BP CORP NORTH AMERICA INC (US) 2015-08-27 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
US-8962800-B2 Nucleic acids and proteins and methods for making and using them BP CORPORATION NORTH AMERICA INC. (US) 2015-02-24 US disclosed
US-20120266329-A1 Nucleic Acids and Proteins and Methods for Making and Using Them BP CORPORATION NORTH AMERICA INC. (US) 2012-10-18 US disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
US-8119385-B2 Nucleic acids and proteins and methods for making and using them BP CORPORATION NORTH AMERICA INC. (US) 2012-02-21 US disclosed
US-20110296543-A1 NUCLEIC ACIDS AND PROTEINS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF CALIFORNIA (US) 2011-12-01 US disclosed
US-20100011456-A1 Nucleic Acids and Proteins and Methods for Making and Using Them VERENIUM CORPORATION (US) 2010-01-14 US disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 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 (3 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-20150240226-A1 NUCLEIC ACIDS AND PROTEINS AND METHODS FOR MAKING AND USING THEM POLN, POLM, POLI ALDH1A1 2292/4885GABBR2 4096/4885GABBR1 4085/4885
US-20120266329-A1 Nucleic Acids and Proteins and Methods for Making and Using Them POLN, POLM, POLI ALDH1A1 2292/4885GABBR2 4096/4885GABBR1 4085/4885
US-20100011456-A1 Nucleic Acids and Proteins and Methods for Making and Using Them POLN, POLM, POLI ALDH1A1 2292/4885GABBR2 4096/4885GABBR1 4085/4885

“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.