SCHEMBL887563

SCHEMBL887563

COc1ccc(C(OCC2OC(n3cc(/C=C/C(=O)NCCN(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F)c(=O)[nH]c3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.44
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TK1 P04183 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TYMP P19971 1/20 0.40

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
SCHEMBL17844996 0.94 TYMS (0.45) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL17844997 0.94 TYMS (0.45) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL5064823 0.88 TYMS (0.48) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL14286636 0.88 TYMS (0.48) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL19500417 0.87 TYMS (0.44) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL8739460 0.86 TYMS (0.53) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL13403288 0.84 TYMS (0.30) TYMS
SCHEMBL8166332 0.83 TYMS (0.47) TYMSTK1TYMP
SCHEMBL16772882 0.83 TYMS (0.49) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL3088129 0.83 CYP1A2 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383792-B2 Compound having structure derived from mononucleoside or mononucleotide, nucleic acid, labeling substance, and method and kit for detection of nucleic acid RIKEN (JP) 2013-02-26 US disclosed
US-8067162-B2 Replication; hybridization; kits RIKEN (JP) 2011-11-29 US disclosed
US-20100092971-A1 COMPOUND HAVING STRUCTURE DERIVED FROM MONONUCLEOSIDE OR MONONUCLEOTIDE, NUCLEIC ACID, LABELING SUBSTANCE, AND METHOD AND KIT FOR DETECTION OF NUCLEIC ACID RIKEN (JP) 2010-04-15 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-20100092971-A1 COMPOUND HAVING STRUCTURE DERIVED FROM MONONUCLEOSIDE OR MONONUCLEOTIDE, NUCLEIC ACID, LABELING SUBSTANCE, AND METHOD AND KIT FOR DETECTION OF NUCLEIC ACID NME1, NGLY1, DNTT TYMS 179/4885CYP1A2 4856/4885CYP3A4 4806/4885

“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.