SCHEMBL12410588

SCHEMBL12410588

O=C(N/B=N/P)Oc1ccc(OCCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
FAAH O00519 11/20 0.38
NR1I2 O75469 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL12410462 0.82 CYP4F2 (0.41) GAASMN1; SMN2
SCHEMBL12414160 0.74 GAA (0.49) GAAALDH1A1RECQLFAAHNR1I2
SCHEMBL12410458 0.73 NPC1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL11955653 0.72 GAA (0.43) GAAALDH1A1RECQLFAAHNR1I2
SCHEMBL12419087 0.69 GAA (0.43) GAAALDH1A1RECQLFAAHNR1I2
SCHEMBL28106819 0.69 ALDH1A1 (0.75) GAAALDH1A1RECQLNR1I2SMN1; SMN2
SCHEMBL48239 0.69 ALDH1A1 (0.75) GAAALDH1A1RECQLNR1I2SMN1; SMN2
SCHEMBL10623263 0.69 GAA (0.58) GAAALDH1A1RECQLNR1I2SMN1; SMN2
SCHEMBL8455300 0.67 GAA (0.61) GAAALDH1A1RECQLNR1I2
Water SCHEMBL29229746 0.67 ALDH1A1 (0.71) GAAALDH1A1RECQLNR1I2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8449872-B2 Polymer conjugates of nesiritide peptides NEKTAR THERAPEUTICS (US) 2013-05-28 US disclosed
US-20110165111-A1 POLYMER CONJUGATES OF NESIRITIDE PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 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 (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-20110165111-A1 POLYMER CONJUGATES OF NESIRITIDE PEPTIDES NGLY1, IAPP, NPSR1 GAA 1737/4885ALDH1A1 4772/4885RECQL 3159/4885

“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.