SCHEMBL2520745

SCHEMBL2520745

CNC(=O)CCO[C@@H]1[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1ccc(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.35
P2RY2 P41231 3/20 0.34
P2RY14 Q15391 2/20 0.34
P2RY4 P51582 1/20 0.34
P2RY12 Q9H244 1/20 0.33
P2RY6 Q15077 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
SCHEMBL18034334 1.00 TYMP (0.35) TYMPP2RY2P2RY14P2RY4P2RY12
SCHEMBL12212807 0.97 TYMP (0.33) TYMPP2RY2P2RY14P2RY4P2RY12
SCHEMBL13715716 0.93 TYMP (0.37) TYMPP2RY2P2RY14P2RY4P2RY12
SCHEMBL3927922 0.93 TYMP (0.37) TYMPP2RY2P2RY14P2RY4P2RY12
SCHEMBL22073385 0.91 P2RY2 (0.37) TYMPP2RY2P2RY14P2RY4P2RY12
SCHEMBL6933255 0.91 TYMP (0.36) TYMPP2RY2P2RY14P2RY4P2RY12
SCHEMBL2106163 0.90 TYMP (0.36) TYMPP2RY2P2RY14P2RY4P2RY12
SCHEMBL24878605 0.90 TYMP (0.37) TYMPP2RY2P2RY14P2RY4P2RY12
SCHEMBL1539684 0.90 TYMP (0.37) TYMPP2RY2P2RY14P2RY4P2RY12
SCHEMBL17220688 0.90 TYMP (0.37) TYMPP2RY2P2RY14P2RY4P2RY12

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-8039611-B2 2′-hydroxyl group-modified ribonucleoside derivatives TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-10-18 US disclosed
US-20100016574-A1 2'-Hydroxyl Group-Modified Ribonucleoside Derivatives TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-01-21 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-20100016574-A1 2'-Hydroxyl Group-Modified Ribonucleoside Derivatives RNASEH1, RNASEL, NSUN2 TYMP 878/4885P2RY2 4638/4885P2RY14 4837/4885

“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.