SCHEMBL3065349

SCHEMBL3065349

CCCCOC(=O)N[C@H](C(=O)O[C@H]1C[C@H](n2cc(C=CBr)c(=O)[nH]c2=O)O[C@@H]1CCl)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TK1 P04183 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TK2 O00142 12/20 0.42
RNASE1 P07998 1/20 0.38
TYMS P04818 1/20 0.35

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
SCHEMBL3084970 0.88 TK1 (0.47) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL3082524 0.86 TK1 (0.45) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11208845 0.79 TK1 (0.53) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11208816 0.79 TK1 (0.53) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL3065348 0.78 TK2 (0.34) TK1TK2RNASE1
SCHEMBL11198236 0.76 TK1 (0.58) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL3084999 0.76 TK1 (0.61) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11289213 0.75 TK2 (0.55) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11289214 0.75 TK2 (0.55) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11197790 0.75 TK1 (0.54) CYP1A2CYP3A4TSHRTK1BLM

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 CYP1A2 2851/4885CYP3A4 3995/4885TSHR 3099/4885

“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.