SCHEMBL4582017

SCHEMBL4582017

CC(C)(C)OC(=O)C(O)(CC(=O)OCc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.39
SYK P43405 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PTPN1 P18031 2/20 0.36
CDC25B P30305 1/20 0.36
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PTPRC P08575 1/20 0.35

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
SCHEMBL7882885 0.89 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL7882887 0.80 KMT2A (0.43) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL6741833 0.77 KMT2A (0.48) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL13904629 0.77 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL27341323 0.73 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL27847368 0.73 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL27544421 0.73 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL2847154 0.72 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL21216606 0.71 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL3283062 0.71 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1MEN1KMT2A

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-7399460-B2 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2008-07-15 US disclosed
US-20070077197-A1 Metal Complexes Derivatized with Folate for use in Diagnostic and Therapeutic Applications BRACCO INTERNATIONAL B.V. (NL) 2007-04-05 US disclosed
US-7186397-B2 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2007-03-06 US disclosed
US-20010004454-A1 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications BRACCO SUISSE SA (CH) 2001-06-21 US disclosed
US-6221334-B1 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications BRACCO RESEARCH USA, INC. 2001-04-24 US disclosed
US-6093382-A A FOLATE-RECEPTOR BINDING LIGAND COMPRSING ONE OR MORE FOLATE BINDING GROUPS, ATLEAST ONE OF WHICH IS CONJUGATED THROUGH ALPHA CARBOXYLATE VIA A LINKING GROUP TO MACROCYCLIC OR NON MACROCYCLIC METAL CHELATING LIGAND RADICAL BRACCO RESEARCH USA INC. (US) 2000-07-25 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 (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-20070077197-A1 Metal Complexes Derivatized with Folate for use in Diagnostic and Therapeutic Applications FOLR1, FOLR2, SLC46A1 ALDH1A1 782/4885MAPK1 4814/4885L3MBTL1 3717/4885
US-20010004454-A1 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications FOLR1, FOLR2, SLC46A1 ALDH1A1 1176/4885MAPK1 4791/4885L3MBTL1 3025/4885

“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.