SCHEMBL5064823

SCHEMBL5064823

COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C=CCNC(=O)C(F)(F)F)c(=O)[nH]c3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.48
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TK1 P04183 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TYMP P19971 1/20 0.43

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
SCHEMBL14286636 1.00 TYMS (0.48) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL17844996 0.88 TYMS (0.45) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL17844997 0.88 TYMS (0.45) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL887563 0.88 TYMS (0.44) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL10087209 0.87 TYMS (0.51) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL3088129 0.86 CYP1A2 (0.60) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL5064819 0.85 TYMS (0.40) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL5064816 0.85 TYMS (0.40) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL15640689 0.85 TYMS (0.53) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL15640688 0.85 TYMS (0.53) TYMSCYP1A2CYP3A4TSHRTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680062-B2 System for delivering therapeutic agents into living cells and cells nuclei Deliversir Ltd. (IL) 2014-03-25 US disclosed
US-20080004234-A1 System for delivering therapeutic agents into living cells and cells nuclei SEGEV LABORATORIES LIMITED (IL) 2008-01-03 US disclosed
US-20060160763-A1 System for delivering therapeutic agents into living cells and cells nuclei SEGEV LABORATORIES LIMITED (IL) 2006-07-20 US disclosed
WO-2006010084-A2 A SYSTEM FOR DELIVERING THERAPEUTIC AGENTS INTO LIVING CELLS AND CELL NUCLEI SEGEV LABORATORIES LIMITED (IL) 2006-01-26 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 (2 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-20060160763-A1 System for delivering therapeutic agents into living cells and cells nuclei RCC1, NUMA1, ACIN1 TYMS 776/4885CYP1A2 4664/4885CYP3A4 4440/4885
US-20080004234-A1 System for delivering therapeutic agents into living cells and cells nuclei RCC1, NUMA1, ACIN1 TYMS 776/4885CYP1A2 4664/4885CYP3A4 4440/4885

“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.