SCHEMBL3789895

SCHEMBL3789895

CCCCN(CCCC)CCCC.O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 8/20 0.69
P2RY14 Q15391 4/20 0.69
NT5E P21589 1/20 0.66
DNPH1 O43598 1/20 0.61
P2RY1 P47900 2/20 0.58
P2RY2 P41231 2/20 0.57
P2RY4 P51582 1/20 0.56
UMPS P11172 1/20 0.55
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54

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
SCHEMBL3789899 1.00 P2RY6 (0.69) P2RY6P2RY14NT5EDNPH1P2RY1
SCHEMBL27686864 0.89 P2RY6 (0.80) P2RY6P2RY14NT5EDNPH1P2RY2
SCHEMBL668874 0.89 P2RY6 (0.80) P2RY6P2RY14NT5EDNPH1P2RY2
SCHEMBL465109 0.89 P2RY6 (0.80) P2RY6P2RY14NT5EDNPH1P2RY2
Lithium Ion SCHEMBL29357540 0.88 P2RY6 (0.79) P2RY6P2RY14NT5EDNPH1P2RY2
SCHEMBL9681927 0.84 P2RY6 (0.81) P2RY6P2RY14NT5EDNPH1
SCHEMBL7600836 0.84 P2RY6 (0.66) P2RY6P2RY14NT5EDNPH1P2RY2
SCHEMBL7996435 0.84 P2RY6 (0.66) P2RY6P2RY14NT5EDNPH1P2RY2
SCHEMBL9551479 0.83 P2RY6 (0.77) P2RY6P2RY14NT5EDNPH1
SCHEMBL1874190 0.83 P2RY1 (0.81) P2RY6P2RY14P2RY1P2RY2P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180339055-A1 BONE TARGETED THERAPEUTICS AND METHODS OF MAKING AND USING THE SAME MBC PHARMA INC (US) 2018-11-29 US disclosed
US-20160095932-A1 Bone Targeted Therapeutics and Methods of Making and Using the Same MBC PHARMA, INC. 2016-04-07 US disclosed
US-9216204-B2 Bone targeted therapeutics and methods of making and using the same MBC PHARMA, INC. (US) 2015-12-22 US disclosed
US-20140051625-A1 Bone Targeted Therapeutics and Methods of Making and Using the Same MBC PHARMA, INC. (US) 2014-02-20 US disclosed
US-8586781-B2 Bone targeted therapeutics and methods of making and using the same MBC PHARMA, INC. (US) 2013-11-19 US disclosed
EP-1383510-B1 BISPHOSPHONATE CONJUGATES AND METHODS OF MAKING AND USING THE SAME MBC PHARMA INC (US) 2012-10-17 EP disclosed
EP-2260852-A2 Bisphosphonate conjugates and methods of making and using the same MBC Pharma, Inc. (US) 2010-12-15 EP disclosed
US-7598246-B2 Bisphosphonate conjugates and methods of making and using the same MBC PHARMA, INC. (US) 2009-10-06 US disclosed
US-20090227544-A1 Bone Targeted Therapeutics and Methods of Making and Using the Same MBC PHARMA, INC. (US) 2009-09-10 US disclosed
US-6896871-B2 Biphosphonate conjugates and methods of making and using the same MBC RESEARCH, INC. (US) 2005-05-24 US disclosed
EP-1383510-A4 BISPHOSPHONATE CONJUGATES AND METHODS OF MAKING AND USING THE SAME MBC RES INC (US) 2005-05-11 EP disclosed
US-20050026864-A1 Bisphosphonate conjugates and methods of making and using the same MBC PHARMA, INC. 2005-02-03 US disclosed
US-6750340-B2 A BISPHOSPHONATE COMPOUND CONJUGATED WITH ANTIBIOTIC, NUCLEOSIDE, ANTISENSE NUCLEIC ACID AND OTHER DRUGS CAPABLE OF RELEASING ANTIBIOTIC OR CYTOTOXIC COMPONENT UPON BINDING WITH BONE TISSUE; USEFUL FOR TREATING BONE CANCER AND INFECTION MBC RESEARCH, INC. 2004-06-15 US disclosed
EP-1383510-A1 BISPHOSPHONATE CONJUGATES AND METHODS OF MAKING AND USING THE SAME MBC Research, Inc. (US) 2004-01-28 EP disclosed
WO-2002083150-A1 BISPHOSPHONATE CONJUGATES AND METHODS OF MAKING AND USING THE SAME MBC RESEARCH, INC. (US) 2002-10-24 WO disclosed
US-20020142994-A1 Bisphosphonate conjugates and methods of making and using the same MBC PHARMA, INC. 2002-10-03 US disclosed
US-20010041689-A1 Bisphosphonate conjugates and methods of making and using the same MBC PHARMA, INC. 2001-11-15 US disclosed
US-6214812-B1 VITAMIN B6 BISPHOSPHONATE CONJUGATE MBC RESEARCH, INC. 2001-04-10 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 (7 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-20140051625-A1 Bone Targeted Therapeutics and Methods of Making and Using the Same SOST, BPGM, BST2 P2RY6 131/4885P2RY14 797/4885NT5E 230/4885
US-20010041689-A1 Bisphosphonate conjugates and methods of making and using the same SOST, BPGM, PTH1R P2RY6 540/4885P2RY14 1661/4885NT5E 310/4885
US-20020142994-A1 Bisphosphonate conjugates and methods of making and using the same SOST, BPGM, PTH1R P2RY6 540/4885P2RY14 1661/4885NT5E 310/4885
US-20050026864-A1 Bisphosphonate conjugates and methods of making and using the same BPGM, SOST, ENPP2 P2RY6 127/4885P2RY14 804/4885NT5E 251/4885
US-20090227544-A1 Bone Targeted Therapeutics and Methods of Making and Using the Same SOST, BPGM, BST2 P2RY6 131/4885P2RY14 797/4885NT5E 230/4885
US-20160095932-A1 Bone Targeted Therapeutics and Methods of Making and Using the Same SOST, BPGM, BST2 P2RY6 131/4885P2RY14 797/4885NT5E 230/4885
US-20180339055-A1 BONE TARGETED THERAPEUTICS AND METHODS OF MAKING AND USING THE SAME SOST, BPGM, BST2 P2RY6 131/4885P2RY14 797/4885NT5E 230/4885

“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.