SCHEMBL16653871

SCHEMBL16653871

[CH2]CC(O)N(Cc1cnc2[nH]c(N)nc(=O)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.54
TYMS P04818 4/20 0.54
GART P22102 4/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ATIC P31939 2/20 0.54
GAA P10253 1/20 0.54
AKR1B1 P15121 1/20 0.54
TSHR P16473 1/20 0.54
PTGS2 P35354 1/20 0.54
TLR4 O00206 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54

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
SCHEMBL5053297 0.92 DHFR (0.54) DHFRTYMSGARTKDM4EMEN1
SCHEMBL5549456 0.88 DHFR (0.53) DHFRTYMSGARTKDM4EMEN1
SCHEMBL338037 0.88 DHFR (0.57) DHFRTYMSGARTKDM4EMEN1
Methopterine SCHEMBL2274614 0.87 DHFR (0.69) DHFRTYMSGARTKDM4EMEN1
SCHEMBL25167471 0.87 DHFR (0.57) DHFRTYMSGARTKDM4EMEN1
SCHEMBL28344641 0.87 DHFR (0.57) DHFRTYMSGARTKDM4EMEN1
SCHEMBL28135233 0.87 DHFR (0.57) DHFRTYMSGARTKDM4EMEN1
SCHEMBL20486467 0.87 DHFR (0.57) DHFRTYMSGARTKDM4EMEN1
SCHEMBL869876 0.87 DHFR (0.57) DHFRTYMSGARTKDM4EMEN1
SCHEMBL16583122 0.87 DHFR (0.57) DHFRTYMSGARTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188738-B2 Formulations useful in the treatment of proliferative diseases affecting the respiratory tract Université Libre de Bruxelles (BE) 2019-01-29 US disclosed
US-20160263232-A1 Formulations Useful in the Treatment of Proliferative Diseases Affecting the Respiratory Tract UNIVERSITE LIBRE DE BRUXELLES (BE) 2016-09-15 US disclosed
EP-3057619-A1 FORMULATIONS USEFUL IN THE TREATMENT OF PROLIFERATIVE DISEASES AFFECTING THE RESPIRATORY TRACT Université Libre de Bruxelles (BE) 2016-08-24 EP disclosed
WO-2015055796-A1 FORMULATIONS USEFUL IN THE TREATMENT OF PROLIFERATIVE DISEASES AFFECTING THE RESPIRATORY TRACT Université Libre de Bruxelles (BE) 2015-04-23 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 (2 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-10188738-B2 Formulations useful in the treatment of proliferative diseases affecting the respiratory tract FOLR1, FOLR2, FGFR1 DHFR 8/4885TYMS 173/4885GART 1028/4885
US-20160263232-A1 Formulations Useful in the Treatment of Proliferative Diseases Affecting the Respiratory Tract FOLR1, FOLR2, FGFR1 DHFR 8/4885TYMS 173/4885GART 1028/4885

“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.