SCHEMBL3863318

SCHEMBL3863318

O=c1[nH]c(=O)n(COCC(O)OP(=O)(O)O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GRIA1 P42261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ GRIA3 P42263 1/20 0.44
▸ GRIA4 P48058 1/20 0.44
▸ GRIK5 Q16478 1/20 0.44
▸ LMNA P02545 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA12 O43570 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ TYMP P19971 4/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ P2RY6 Q15077 1/20 0.34
▸ P2RY14 Q15391 1/20 0.34
▸ UPP1 Q16831 1/20 0.33

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
SCHEMBL26911545 0.72 LMNA (0.48) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL3786418 0.72 UPP1 (0.57) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL6372044 0.71 LMNA (0.56) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL26911544 0.69 LMNA (0.47) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL26911561 0.68 LMNA (0.56) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL9652779 0.68 KDM4E (0.51) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL10457377 0.68 KDM4E (0.54) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL5017332 0.68 LMNA (0.49) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL827876 0.67 LMNA (0.58) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL26911565 0.67 KDM4E (0.57) KDM4ECYP1A2GRIA1GRIA2GRIA3

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 11 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
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-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
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 (6 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 KDM4E 2424/4885CYP1A2 4763/4885GRIA1 1275/4885
US-20010041689-A1 Bisphosphonate conjugates and methods of making and using the same SOST, BPGM, PTH1R KDM4E 3027/4885CYP1A2 3877/4885GRIA1 1261/4885
US-20050026864-A1 Bisphosphonate conjugates and methods of making and using the same BPGM, SOST, ENPP2 KDM4E 2963/4885CYP1A2 4485/4885GRIA1 1371/4885
US-20090227544-A1 Bone Targeted Therapeutics and Methods of Making and Using the Same SOST, BPGM, BST2 KDM4E 2424/4885CYP1A2 4763/4885GRIA1 1275/4885
US-20160095932-A1 Bone Targeted Therapeutics and Methods of Making and Using the Same SOST, BPGM, BST2 KDM4E 2424/4885CYP1A2 4763/4885GRIA1 1275/4885
US-20180339055-A1 BONE TARGETED THERAPEUTICS AND METHODS OF MAKING AND USING THE SAME SOST, BPGM, BST2 KDM4E 2424/4885CYP1A2 4763/4885GRIA1 1275/4885

“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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