SCHEMBL2818988

SCHEMBL2818988

C#CC[C](C)NC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
ALDH1A1 P00352 1/20 0.35
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
EPHX1 P07099 1/20 0.33
CA3 P07451 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 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
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL68609 0.71 SMN1; SMN2 (0.50) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6972226 0.69 CA2 (0.48) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL8589178 0.69 CA2 (0.48) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL4742935 0.68 CA2 (0.37) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL2053132 0.68 CA2 (0.59) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL20749882 0.66 CA2 (0.43) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL23957778 0.64
SCHEMBL31364212 0.64
SCHEMBL28366741 0.64 EPHX1 (0.42) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL18158145 0.64 CA2 (0.42) CA2ALDH1A1POLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100304381-A1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS Life Technologies Corporation (US) 2010-12-02 US disclosed
US-7687236-B2 Fluorescent nucleobase conjugates having anionic linkers APPLIED BIOSYSTEMS, LLC (US) 2010-03-30 US disclosed
EP-1317464-B1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORP (US) 2009-05-13 EP disclosed
US-20090092986-A1 Fluorescent Nucleobase Conjugates Having Anionic Linkers APPLIED BIOSYSTEMS INC. (US) 2009-04-09 US disclosed
US-7429651-B2 Fluorescent nucleobase conjugates having anionic linkers APPLERA CORPORATION (US) 2008-09-30 US disclosed
US-20050250119-A1 Fluorescent nucleobase conjugates having anionic linkers APPLERA CORPORATION (US) 2005-11-10 US disclosed
US-6811979-B2 NUCLEOTIDE DERIVATIVE FOR USE IN SEQUENCE DETERMINATION OF NUCLEIC ACID MOLECULE APPLERA CORPORATION 2004-11-02 US disclosed
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers PE CORPORATION (NY) (US) 2002-08-01 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 (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-20050250119-A1 Fluorescent nucleobase conjugates having anionic linkers DNTT, DUT, NT5C3B CA2 2170/4885ALDH1A1 2642/4885POLB 45/4885
US-20100304381-A1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS DNTT, DUT, NT5C3B CA2 2170/4885ALDH1A1 2642/4885POLB 45/4885
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers DNTT, DUT, NT5C3B CA2 2170/4885ALDH1A1 2642/4885POLB 45/4885

“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.