SCHEMBL14044902

SCHEMBL14044902

O=C(N1CCCNCCN(C(=O)C(F)(F)F)CCCN(C(=O)C(F)(F)F)CCC1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CHKA P35790 1/20 0.48
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
PKM P14618 1/20 0.35
DPP4 P27487 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HSD11B1 P28845 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL3833764 0.98 CA2 (0.47) CA2CHKACA12CA1CA9
SCHEMBL28950008 0.98 CA2 (0.50) CA2CHKACA12CA1CA9
SCHEMBL3832932 0.94 CA2 (0.47) CA2CHKACA12CA1CA9
SCHEMBL696750 0.90 CA2 (0.48) CA2CHKACA12CA1CA9
SCHEMBL3100695 0.88 CA2 (0.46) CA2CHKACA12CA1CA9
SCHEMBL3828888 0.88 CA2 (0.46) CA2CHKACA12CA1CA9
SCHEMBL3827972 0.88 CA2 (0.46) CA2CHKACA12CA1CA9
Hydrochloric Acid SCHEMBL6898768 0.88 CA2 (0.46) CA2CHKACA12CA1CA9
Trifluoroacetic Acid SCHEMBL22233151 0.84 PKM (0.47) CA2CHKACA12CA1CA9
SCHEMBL1902961 0.83 ALDH1A1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8758723-B2 Compositions and methods for cellular imaging and therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-24 US disclosed
US-8758723-B2 Compositions and methods for cellular imaging and therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-24 US disclosed
WO-2008130439-A1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-10-30 WO disclosed
US-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-25 US disclosed
US-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-25 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 (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-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCL, NME4 CA2 1409/4885CHKA 455/4885CA12 465/4885

“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.