SCHEMBL3085563

SCHEMBL3085563

C=C(Br)c1cn([C@H]2CC(Cl)[C@@H](C)O2)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.40
DHFR P00374 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TK2 O00142 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL17135513 0.87 TK1 (0.40) TK1DHFRLMNASMN1; SMN2TK2
SCHEMBL3090857 0.87 TK1 (0.51) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL3065258 0.84 TK1 (0.43) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL3071137 0.84 TK1 (0.43) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL3066249 0.84 TK1 (0.51) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL3085741 0.80
SCHEMBL17135532 0.78 TK1 (0.49) TK1LMNASMN1; SMN2TSHR
SCHEMBL3076872 0.77 TK1 (0.54) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL3085569 0.76 TK1 (0.59) TK1TK2CYP1A2CYP3A4TSHR
SCHEMBL3085571 0.76 TK1 (0.59) TK1TK2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054406-B1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESPROTECT GMBH (DE) 2015-10-07 EP disclosed
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 TK1 40/4885DHFR 27/4885LMNA 1868/4885

“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.