SCHEMBL16245993

SCHEMBL16245993

O=C(O)CC[C@H](NC(=O)c1cnc[nH]1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
FOLH1 Q04609 5/20 0.47
NAALAD2 Q9Y3Q0 4/20 0.47
RIMKLA Q8IXN7 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43
AGTR2 P50052 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL16246098 1.00 KDM4E (0.54) KDM4EHPGDFOLH1NAALAD2RIMKLA
SCHEMBL18912366 0.83 ACACB (0.52) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL31741254 0.78 ALDH1A1 (0.54) KDM4EHPGDFOLH1NAALAD2RIMKLA
SCHEMBL1603738 0.75 TSHR (0.51) KDM4EHPGDFOLH1NAALAD2RIMKLA
SCHEMBL16264928 0.75 NPC1 (0.43) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL27806351 0.74 CYP3A4 (0.60) CA2CA1
SCHEMBL16246085 0.73 TDP1 (0.50) KDM4EHPGDFOLH1NAALAD2RIMKLA
SCHEMBL16245945 0.73 KDM4E (0.50) KDM4EHPGDFOLH1NAALAD2RIMKLA
SCHEMBL23303777 0.72 CA2 (0.62) KDM4EHPGDFOLH1NAALAD2RIMKLA
SCHEMBL18912264 0.72 ALDH1A1 (0.51) KDM4EHPGDNPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075667-A1 COMPOSITIONS AND METHODS FOR CHEMICAL EXCHANGE SATURATION TRANSFER (CEST) MAGNETIC RESONANCE IMAGING (MRI) UNIV JOHNS HOPKINS (US) 2016-03-17 US disclosed
WO-2014182538-A1 COMPOSITIONS AND METHODS FOR CHEMICAL EXCHANGE SATURATION TRANSFER (CEST) MAGNETIC RESONANCE IMAGING (MRI) THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 WO disclosed
WO-2014182538-A1 COMPOSITIONS AND METHODS FOR CHEMICAL EXCHANGE SATURATION TRANSFER (CEST) MAGNETIC RESONANCE IMAGING (MRI) THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 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 (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-20160075667-A1 COMPOSITIONS AND METHODS FOR CHEMICAL EXCHANGE SATURATION TRANSFER (CEST) MAGNETIC RESONANCE IMAGING (MRI) SLC46A1, SLC5A7, SLCO1B1 KDM4E 3184/4885HPGD 1600/4885FOLH1 903/4885

“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.