SCHEMBL3065348

SCHEMBL3065348

C=CC(Cl)[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)C[C@@H]1OC(=O)[C@@H](NC(=O)OCCCC)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.34
RNASE1 P07998 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TK1 P04183 2/20 0.31
SLC6A2 P23975 1/20 0.31
ASAH1 Q13510 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
SCHEMBL3084969 0.87 KMT2A (0.37) TK2RNASE1ALDH1A1POLBKMT2A
Trifluoroacetic Acid SCHEMBL3072335 0.81 RNASE1 (0.31) RNASE1
SCHEMBL3065349 0.78 CYP1A2 (0.46) TK2RNASE1TK1
SCHEMBL3084997 0.77 ALDH1A1 (0.42) RNASE1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL17135516 0.75 MEN1 (0.33) KMT2A
SCHEMBL3085663 0.73 ALDH1A1 (0.39) RNASE1ALDH1A1POLBKMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL17135522 0.71 ABCG2 (0.30)
SCHEMBL3065260 0.71 SMN1; SMN2 (0.45) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL3078265 0.70 KMT2A (0.35) ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL3078489 0.69 ALDH1A1 (0.40) RNASE1ALDH1A1POLBKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492537-B2 Nucleosides for suppressing or reducing the development of resistance in cytostatic therapy RESPROTECT GMBH (DE) 2013-07-23 US disclosed
US-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESprotech GmbH (DE) 2010-09-09 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-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY TYMP, ENTPD5, NTPCR TK2 34/4885RNASE1 29/4885SQOR 1075/4885

“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.