SCHEMBL22009102

SCHEMBL22009102

O=C(I)CCCN1C(=O)C=CC1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.60
FAAH O00519 5/20 0.60
PTGS1 P23219 7/20 0.58
PTGS2 P35354 7/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HPGD P15428 2/20 0.58
HSP90AA1 P07900 1/20 0.58
TLR9 Q9NR96 1/20 0.58
TP53 P04637 1/20 0.58
PKM P14618 1/20 0.58
XBP1 P17861 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GPR35 Q9HC97 1/20 0.58

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
SCHEMBL15606248 0.92 PTGS1 (0.70) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL1965501 0.81 MGLL (0.62) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL155346 0.81 PTGS1 (0.85) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL1704532 0.81 MGLL (0.62) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL3047985 0.79 PTGS1 (0.81) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL3049679 0.79 PTGS1 (0.81) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL6473262 0.79 PTGS1 (0.81) MGLLFAAHPTGS1PTGS2ALDH1A1
Hydrochloric Acid SCHEMBL17924135 0.79 PTGS1 (0.81) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL10014802 0.79 MGLL (0.60) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL16539081 0.79 MGLL (0.60) MGLLFAAHPTGS1PTGS2ALDH1A1

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-20220185803-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2022-06-16 US disclosed
US-20220177461-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2022-06-09 US disclosed
US-20220016277-A1 MACROCYCLIC COMPLEXES OF RADIONUCLIDES AND THEIR USE IN RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2022-01-20 US disclosed
US-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2020-05-21 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 (4 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-20220185803-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 MGLL 3046/4885FAAH 4785/4885PTGS1 4742/4885
US-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 MGLL 3046/4885FAAH 4785/4885PTGS1 4742/4885
US-20220016277-A1 MACROCYCLIC COMPLEXES OF RADIONUCLIDES AND THEIR USE IN RADIOTHERAPY OF CANCER PSMA1, KLK3, FOLH1 MGLL 2768/4885FAAH 4731/4885PTGS1 4611/4885
US-20220177461-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 MGLL 3046/4885FAAH 4785/4885PTGS1 4742/4885

“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.