SCHEMBL6229380

SCHEMBL6229380

Nc1nc(=O)n([C@H]2CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1C#CCNC(=O)CI

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLG P54098 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ P2RY2 P41231 2/20 0.46
▸ P2RY4 P51582 2/20 0.46
▸ P2RY6 Q15077 2/20 0.46
▸ DTYMK P23919 1/20 0.42

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
SCHEMBL6229367 1.00 POLG (0.46) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL20417310 0.93 POLG (0.41) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL20417318 0.93 POLG (0.41) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL13314154 0.93 POLG (0.47) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL30083115 0.90 POLG (0.47) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL17833854 0.89 POLG (0.43) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL7661079 0.89 POLG (0.43) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL12729532 0.89 POLG (0.43) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL22327108 0.88 POLG (0.51) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL5664015 0.88 POLG (0.51) POLGPOLBP2RY2P2RY4P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112254-A4 CYANINE DYES AND SYNTHESIS METHODS THEREOF NEN LIFE SCIENCE PROD INC (US) 2005-03-16 — — EP disclosed
US-6437141-B2 FOR LABELING TARGET MOLECULES NEN LIFE SCIENCE PRODUCTS, INC. 2002-08-20 — — US disclosed
US-20010020098-A1 For labeling target molecules NEN LIFE SCIENCE PRODUCTS, INC. 2001-09-06 — — US disclosed
EP-1112254-A2 CYANINE DYES AND SYNTHESIS METHODS THEREOF NEN Life Science Products, Inc. (US) 2001-07-04 — — EP disclosed
US-6224644-B1 CYANINE DYES INCLUDES FREE OR PROTECTED THIOL, AMINE OR HYDROXY SUBSTITUENT CAPABLE OF REACTING WITH A TARGET MOLECULE THROUGH A NEUCLOPHILIC DISPLACEMENT, USEFUL IN LABELING A VARIETY OF TARGET MOLECULES NEN LIFE SCIENCE PRODUCTS, INC. 2001-05-01 — — US disclosed
US-6204389-B1 DEBLOCKING; NUCLEOPHILIC DISPLACEMENT NEN LIFE SCIENCE PRODUCTS, INC. 2001-03-20 — — US disclosed
US-6197956-B1 FLUORESCENT BENZIMIDAZOLE, BENZOTHIAZOLE, BENZOXAZOLE, BENZOTHIAZINE, BENZOXAZINE AND QUINOLINE DYES NEN LIFE SCIENCE PRODUCTS, INC. 2001-03-06 — — US disclosed
WO-2000063296-A2 CYANINE DYES AND SYNTHESIS METHODS THEREOF NEN LIFE SCIENCE PRODUCTS, INC. (US) 2000-10-26 — — WO disclosed
US-6114350-A Cyanine dyes and synthesis methods thereof NEN LIFE SCIENCE PRODUCTS, INC. (US) 2000-09-05 — — 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-20010020098-A1 For labeling target molecules CYC1, THEM6, TPH1 POLG 3325/4885POLB 4265/4885P2RY2 4486/4885

“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.

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