SCHEMBL22009250

SCHEMBL22009250

COC(=O)c1cc(OCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc(C(=O)OC)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.46
DRD2 P14416 1/20 0.42
MAPK14 Q16539 1/20 0.42
PPARA Q07869 4/20 0.42
F10 P00742 2/20 0.41
SREBF2 Q12772 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
MAPKAPK2 P49137 3/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
GLS O94925 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL22009251 0.92 CYP17A1 (0.42) CYP17A1DRD2MAPK14PPARAF10
SCHEMBL22009252 0.91 CYP17A1 (0.41) CYP17A1DRD2MAPK14PPARAF10
SCHEMBL22008651 0.86 CYP17A1 (0.46) CYP17A1DRD2MAPK14PPARAF10
SCHEMBL24454240 0.82 CYP17A1 (0.38) CYP17A1DRD2MAPK14PPARAF10
SCHEMBL22008652 0.82 CYP17A1 (0.42) CYP17A1DRD2MAPK14PPARAF10
SCHEMBL22009247 0.80 CD274 (0.40) DRD2F10
SCHEMBL24206947 0.79 SIRT2 (0.33) CYP17A1DRD2MAPK14PPARAF10
SCHEMBL17512641 0.78 ATR (0.45) CYP17A1MAP4K4
SCHEMBL13234660 0.77 PPARA (0.59) DRD2PPARA
SCHEMBL31721009 0.76 CA12 (0.53)

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 CYP17A1 1161/4885DRD2 3095/4885MAPK14 3833/4885
US-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 CYP17A1 1161/4885DRD2 3095/4885MAPK14 3833/4885
US-20220016277-A1 MACROCYCLIC COMPLEXES OF RADIONUCLIDES AND THEIR USE IN RADIOTHERAPY OF CANCER PSMA1, KLK3, FOLH1 CYP17A1 494/4885DRD2 3499/4885MAPK14 3646/4885
US-20220177461-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 CYP17A1 1161/4885DRD2 3095/4885MAPK14 3833/4885

“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.