SCHEMBL22014317

SCHEMBL22014317

O=P(O)(CN1CCN(CP(=O)(O)c2ccccc2)CCN(CP(=O)(O)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.57
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PTPN2 P17706 2/20 0.44
PTPN1 P18031 2/20 0.44
PTPN4 P29074 2/20 0.44
PTPN9 P43378 2/20 0.44
PTPN11 Q06124 2/20 0.44
TSHR P16473 2/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL22014092 0.94 CFTR (0.52) CFTRCA2CA4CA5AALDH1A1
SCHEMBL22014482 0.94 CFTR (0.52) CFTRCA2CA4CA5AALDH1A1
SCHEMBL21961918 0.91 CFTR (0.48) CFTRCA2CA4CA5AALDH1A1
SCHEMBL22014093 0.90 SIGMAR1 (0.58) CFTRALDH1A1KMT2A
SCHEMBL22014308 0.83 CFTR (0.41) CFTRALDH1A1PTPN2PTPN1PTPN4
SCHEMBL24359437 0.79 CYP3A4 (0.58) ALDH1A1TSHRGFERMEN1KMT2A
SCHEMBL17537488 0.73 CFTR (0.73) CFTRCA2CA4CA5AALDH1A1
SCHEMBL17488976 0.73 CFTR (0.73) CFTRCA2CA4CA5AALDH1A1
SCHEMBL806049 0.73 CFTR (1.00) CFTRCA2CA4CA5AALDH1A1
SCHEMBL22014091 0.72 SIGMAR1 (0.64) ALDH1A1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 US disclosed
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 US disclosed
WO-2024129600-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRHR) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. (US) 2024-06-20 WO disclosed
WO-2024112612-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. (US) 2024-05-30 WO disclosed
US-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-05-31 US disclosed
WO-2020102820-A1 COMPOUNDS FOR USE AS IRON (III) MRI CONTRAST AGENTS CONTAINING ANIONIC PENDENTS AND ANCILLARY GROUPS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-05-22 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-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups SLC40A1, TAC3, ABCB7 CFTR 2526/4885CA2 1532/4885CA4 952/4885
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R CFTR 4004/4885CA2 3412/4885CA4 2647/4885

“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.