SCHEMBL3302767

SCHEMBL3302767

NCCCNCCCCNCCCNC(=O)C(F)(F)F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 4/20 0.81
CA5B Q9Y2D0 4/20 0.81
CA3 P07451 3/20 0.81
CA12 O43570 3/20 0.81
CA2 P00918 3/20 0.81
CA4 P22748 3/20 0.81
CA6 P23280 3/20 0.81
CA7 P43166 3/20 0.81
CA9 Q16790 3/20 0.81
CA14 Q9ULX7 3/20 0.81
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 1/20 0.67
POLB P06746 1/20 0.67
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HDAC6 Q9UBN7 1/20 0.59
EPHX1 P07099 1/20 0.55
F13A1 P00488 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 2/20 0.48

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
SCHEMBL11981741 0.96 CA5A (0.81) CA5ACA5BCA3CA12CA2
SCHEMBL1274081 0.90 CA3 (1.00) CA5ACA5BCA3CA12CA2
SCHEMBL12936102 0.90 CA3 (1.00) CA5ACA5BCA3CA12CA2
SCHEMBL10228415 0.90 CA3 (1.00) CA5ACA5BCA3CA12CA2
SCHEMBL3149189 0.90 ALDH1A1 (0.74) CA5ACA5BCA3CA12CA2
SCHEMBL6490885 0.88 ALDH1A1 (0.78) CA5ACA5BCA3CA12CA2
Hydrochloric Acid SCHEMBL29241548 0.88 SMN1; SMN2 (0.71) CA5ACA5BCA3CA12CA2
SCHEMBL3142216 0.88 CA3 (0.95) CA5ACA5BCA3CA12CA2
SCHEMBL5367616 0.86 MEN1 (0.79) CA5ACA5BCA3CA12CA2
Hydrochloric Acid SCHEMBL29241679 0.86 SMN1; SMN2 (0.75) CA5ACA5BCA3CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048344-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2019-02-14 US disclosed
US-20150209440-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2015-07-30 US disclosed
US-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2015-07-23 US disclosed
WO-2015057847-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2015-04-23 WO disclosed
US-20140296322-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2014-10-02 US disclosed
US-20140037573-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC (US) 2014-02-06 US disclosed
WO-2013126564-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2013-08-29 WO disclosed
US-20120302622-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2012-11-29 US disclosed
US-20120225129-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2012-09-06 US disclosed
WO-2012024526-A2 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2012-02-23 WO disclosed
US-20100093973-A1 POLY(AMINO ACID) COMPOUND HAVING INHIBITORY ACTIVITY ON ABSORPTION OF PHOSPHORUS AND PHOSPHORUS ABSORPTION INHIBITOR AJINOMOTO CO., INC. (JP) 2010-04-15 US disclosed
US-7001891-B1 Biodegradable polycation composition for delivery of an anionic macromolecule EFRAT BIOPOLYMERS LIMITED (IL) 2006-02-21 US disclosed
EP-1200481-A1 A BIODEGRADABLE POLYCATION COMPOSITION FOR DELIVERY OF AN ANIONIC MACROMOLECULE Polygene Ltd. (IL) 2002-05-02 EP disclosed
WO-2001007486-A1 A BIODEGRADABLE POLYCATION COMPOSITION FOR DELIVERY OF AN ANIONIC MACROMOLECULE POLYGENE LTD. (IL) 2001-02-01 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 (8 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-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 CA5A 1286/4885CA5B 1510/4885CA3 4283/4885
US-20190048344-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 CA5A 1286/4885CA5B 1510/4885CA3 4283/4885
US-20140296322-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CD44, DIS3, POLN CA5A 1833/4885CA5B 1620/4885CA3 3138/4885
US-20100093973-A1 POLY(AMINO ACID) COMPOUND HAVING INHIBITORY ACTIVITY ON ABSORPTION OF PHOSPHORUS AND PHOSPHORUS ABSORPTION INHIBITOR ALPI, SLC7A1, SLC34A1 CA5A 2690/4885CA5B 2134/4885CA3 380/4885
US-20140037573-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS SYNCRIP, EXOSC5, EXOSC9 CA5A 2095/4885CA5B 1814/4885CA3 2912/4885
US-20120302622-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS SYNCRIP, EXOSC5, EXOSC9 CA5A 2095/4885CA5B 1814/4885CA3 2912/4885
US-20150209440-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CD44, DIS3, POLN CA5A 1833/4885CA5B 1620/4885CA3 3138/4885
US-20120225129-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS SYNCRIP, EXOSC5, EXOSC9 CA5A 2095/4885CA5B 1814/4885CA3 2912/4885

“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.