SCHEMBL515542

SCHEMBL515542

O=P(O)(O)C(Cn1ccnc1)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 1.00
GGPS1 O95749 3/20 0.50
BTN3A1 O00481 1/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.43
CYP19A1 P11511 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
Water SCHEMBL28274320 0.98 FDPS (0.96) FDPSGGPS1BTN3A1CA12CA2
Methyl Alcohol SCHEMBL9715289 0.96 FDPS (0.93) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL28381527 0.87 FDPS (0.76) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL28380721 0.85 FDPS (0.73) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL3659339 0.83 FDPS (0.71) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL9460027 0.80 FDPS (0.65) FDPSGGPS1BTN3A1CA12CA2
Phosphonic Acid SCHEMBL10410285 0.78 FDPS (0.63) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL8714524 0.78 FDPS (0.63) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL5702824 0.78 FDPS (0.63) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL9114540 0.76 FDPS (0.61) FDPSGGPS1BTN3A1CA12CA2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275821-B1 SUBSTITUTED ALKANEDIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1992-02-26 EP claimed
EP-0275821-A1 Substituted alkanediphosphonic acids CIBA-GEIGY AG (CH) 1988-07-27 EP claimed
WO-2016081281-A1 LIPOPHILIC BISPHOSPHONATES AND METHODS OF USE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-05-26 WO disclosed
WO-2016081281-A1 LIPOPHILIC BISPHOSPHONATES AND METHODS OF USE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-05-26 WO disclosed
US-20130138221-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMPLANT OSSEOINTEGRATION NOVARTIS AG (CH) 2013-05-30 US disclosed
US-20130082217-A1 METHOD OF PRODUCING METAL PARTICLES, AND INK COMPOSITION AND PASTE COMPOSITION PRODUCED BY THE SAME SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2013-04-04 US disclosed
US-20130082217-A1 METHOD OF PRODUCING METAL PARTICLES, AND INK COMPOSITION AND PASTE COMPOSITION PRODUCED BY THE SAME SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2013-04-04 US disclosed
US-20120027818-A1 BISPHOSPHONATE PRODUCT IN A CYCLOOLEFINIC POLYMER CONTAINER GLAUSCH ALEXANDRA (DE) 2012-02-02 US disclosed
US-8052987-B2 Intermittently administering a bisphosphonate to patient, wherein period between administrations of bisphosphonate is at least 6 months; treatment of osteoporosis NOVARTIS PHARMACEUTICALS CORPORATION (US) 2011-11-08 US disclosed
US-7932241-B2 Filling plastic container with bisphosphonate solution; heat sterilization NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100047306-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BISPHOSPONATES NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20050119230-A1 Pharmaceutical products comprising bisphosphonated GLAUSCH ALEXANDRA (DE) 2005-06-02 US disclosed
US-20050014726-A1 Pharmaceutical composition for use for the treatment of malignancies comprising in combination a bisphosphonates, a cox-2 inhibitor and a taxol NOVARTIS AG (CH) 2005-01-20 US disclosed
US-20040157799-A1 Pharmaceutical uses of bisphosphonates SEAMAN JOHN J (US) 2004-08-12 US disclosed
WO-2004035061-A1 METHOD OF ADMINISTERING BISPHOSPHONATES NOVARTIS AG (CH) 2004-04-29 WO disclosed
US-20040063670-A1 Use of bisphosphonates for pain treatment FOX ALYSON (GB) 2004-04-01 US disclosed
US-20030181421-A1 Method of administering bisphosphonates NOVARTIS PHARMACEUTICALS CORPORATION 2003-09-25 US disclosed
EP-0275821-B1 SUBSTITUTED ALKANEDIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1992-02-26 EP disclosed
US-4939130-A Substituted alkanediphosphonic acids and pharmaceutical use CIBA-GEIGY CORPORATION (US) 1990-07-03 US disclosed
EP-0275821-A1 Substituted alkanediphosphonic acids CIBA-GEIGY AG (CH) 1988-07-27 EP 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-20040063670-A1 Use of bisphosphonates for pain treatment SOST, OPRL1, BPGM FDPS 465/4885GGPS1 261/4885BTN3A1 484/4885
US-20120027818-A1 BISPHOSPHONATE PRODUCT IN A CYCLOOLEFINIC POLYMER CONTAINER PGD, RICTOR, PAICS FDPS 90/4885GGPS1 8/4885BTN3A1 3308/4885
US-20030181421-A1 Method of administering bisphosphonates PTH1R, SOST, BPGM FDPS 620/4885GGPS1 224/4885BTN3A1 491/4885
US-20050014726-A1 Pharmaceutical composition for use for the treatment of malignancies comprising in combination a bisphosphonates, a cox-2 inhibitor and a taxol PTGER2, SOST, PTGS2 FDPS 2126/4885GGPS1 533/4885BTN3A1 4167/4885
US-20050119230-A1 Pharmaceutical products comprising bisphosphonated BPGM, P2RY6, PIK3CA FDPS 270/4885GGPS1 113/4885BTN3A1 4332/4885
US-20100047306-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BISPHOSPONATES PTEN, PPIP5K2, ACP3 FDPS 324/4885GGPS1 236/4885BTN3A1 1226/4885
US-20040157799-A1 Pharmaceutical uses of bisphosphonates ACP3, SOST, BPGM FDPS 529/4885GGPS1 240/4885BTN3A1 3391/4885

“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.