SCHEMBL138629

SCHEMBL138629

CCCCCCCCCCCCCCCCOCCCOP1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 1.00
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30
EP300 Q09472 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
SCHEMBL254710 0.88 FGFR1 (0.81) FGFR1ALDH1A1
SCHEMBL10044383 0.84 FGFR1 (0.72) FGFR1
SCHEMBL4570525 0.84 FGFR1 (0.71) FGFR1
SCHEMBL1105227 0.82 FGFR1 (0.70) FGFR1ALDH1A1TDP1EP300
SCHEMBL14308878 0.81 FGFR1 (0.71) FGFR1EP300
SCHEMBL24140186 0.80 FGFR1 (0.68) FGFR1
SCHEMBL24140143 0.80 FGFR1 (0.68) FGFR1
SCHEMBL24140174 0.80 FGFR1 (0.68) FGFR1
SCHEMBL23292842 0.79 FGFR1 (0.68) FGFR1
SCHEMBL24140146 0.79 FGFR1 (0.66) FGFR1

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-9303051-B2 Phosphonate ester derivatives and methods of synthesis thereof CHIMERIX INC. (US) 2016-04-05 US disclosed
US-20150329575-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF EMERGENT BIODEFENSE OPERATIONS LANSING LLC 2015-11-19 US disclosed
US-20140046085-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof CHIMERIX, INC. (US) 2014-02-13 US disclosed
US-8569321-B2 Phosphonate ester derivatives and methods of synthesis thereof CHIMERIX, INC. (US) 2013-10-29 US disclosed
US-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof CHIMERIX, INC. (US) 2012-03-08 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-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof PHOSPHO1, PIK3CA, PNP FGFR1 2756/4885ALDH1A1 2151/4885TDP1 814/4885
US-20140046085-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof PHOSPHO1, PIK3CA, PNP FGFR1 2756/4885ALDH1A1 2151/4885TDP1 814/4885
US-20150329575-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF PHOSPHO1, PIK3CA, PNP FGFR1 2756/4885ALDH1A1 2151/4885TDP1 814/4885

“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.