SCHEMBL2835693

SCHEMBL2835693

O=C(O)CC=CNC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CA2 P00918 2/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA3 P07451 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
PAM P19021 1/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL14157935 0.77 CA2 (0.50) ALDH1A1CA2POLBSMN1; SMN2MEN1
SCHEMBL7142955 0.71 CA2 (0.40) ALDH1A1CA2POLBSMN1; SMN2MEN1
SCHEMBL16330338 0.69 CA2 (0.42) ALDH1A1CA2POLBSMN1; SMN2MEN1
SCHEMBL5485794 0.69 CA2 (0.42) ALDH1A1CA2POLBSMN1; SMN2MEN1
SCHEMBL21754091 0.66
SCHEMBL6202148 0.66 ALDH1A1 (0.55) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL19170305 0.65 CA2 (0.34) ALDH1A1CA2POLBSMN1; SMN2
SCHEMBL3134391 0.65 CYP2D6 (1.00) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL190067 0.65 CYP2D6 (1.00) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL213024 0.65 CYP2D6 (1.00) ALDH1A1CYP2D6ALOX15PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363640-B1 NUCLEIC ACID DERIVATIVES BIO RAD LABORATORIES (US) 2010-04-28 EP disclosed
US-7683164-B2 Nucleic acid derivatives BIO-RAD LABORATORIES INC. (US) 2010-03-23 US disclosed
US-20090005334-A1 cyclic moieties which enable the formation of stable hybrids with natural nucleic acids and can therefore be efficiently used in a wide variety of applications and, in particular, in antisense therapy BIO-RAD LABORATORIES INC. (US) 2009-01-01 US disclosed
US-7348148-B2 Nucleic acid derivatives BIO-RAD LABORATORIES INC. (US) 2008-03-25 US disclosed
EP-1363640-A4 NUCLEIC ACID DERIVATIVES BIO RAD LABORATORIES (US) 2006-10-25 EP disclosed
US-20060148751-A1 Nucleic acid derivatives BIO-RAD LABORATORIES INC. (US) 2006-07-06 US disclosed
US-7034131-B2 Nucleic acid derivatives BIO-RAD LABORATORIES INC. (US) 2006-04-25 US disclosed
EP-1363640-A2 NUCLEIC ACID DERIVATIVES BIO-RAD LABORATORIES, INC. (US) 2003-11-26 EP disclosed
US-20030191074-A1 Nucleic acid derivatives BIO-RAD LABORATORIES INC. 2003-10-09 US disclosed
WO-2002061110-A2 NUCLEIC ACID DERIVATIVES BIO-RAD LABORATORIES, INC. (US) 2002-08-08 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 (3 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-20030191074-A1 Nucleic acid derivatives NSUN2, POLRMT, ADAR ALDH1A1 2425/4885CYP2D6 4480/4885ALOX15 4744/4885
US-20060148751-A1 Nucleic acid derivatives NSUN2, POLRMT, ADAR ALDH1A1 2503/4885CYP2D6 4509/4885ALOX15 4741/4885
US-20090005334-A1 cyclic moieties which enable the formation of stable hybrids with natural nucleic acids and can therefore be efficiently used in a wide variety of applications and, in particular, in antisense therapy POLRMT, NSUN2, RNGTT ALDH1A1 2920/4885CYP2D6 3963/4885ALOX15 4758/4885

“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.