SCHEMBL514756

SCHEMBL514756

O=P(O)(O)C(Cc1nccs1)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 1.00
SLC6A3 Q01959 3/20 0.37
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPM5 Q9NZQ8 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
SCHEMBL6142897 0.79 FDPS (0.65) FDPSSLC6A3ALDH1A1
SCHEMBL31026681 0.76 FDPS (0.61) FDPSSLC6A3ALDH1A1
Phosphoric Acid SCHEMBL6547515 0.72 FDPS (0.56) FDPSSLC6A3ALDH1A1
SCHEMBL2035542 0.71
SCHEMBL9933616 0.70 FDPS (0.54) FDPSSLC6A3CYP3A4ALDH1A1
SCHEMBL19468539 0.70 FDPS (0.58) FDPSALDH1A1
SCHEMBL104654 0.70
SCHEMBL9372854 0.70
SCHEMBL2033995 0.69 FDPS (0.53) FDPSSLC6A3ALDH1A1
SCHEMBL6385699 0.69 FDPS (0.53) FDPSSLC6A3CYP3A4ALDH1A1

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 42 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
US-20130138221-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMPLANT OSSEOINTEGRATION NOVARTIS AG (CH) 2013-05-30 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-20090209493-A1 COMBINATION THERAPY COMPRISING A BISPHOSPHONATE AND A HMG-COA REDUCTASE INHIBITOR BAULCH-BROWN CINDY MAREE 2009-08-20 US disclosed
US-20080254089-A1 PHARMACEUTICAL PRODUCTS COMPRISING BISPHOSPHONATES NOVARTIS PHARMACEUTICALS CORPORATION 2008-10-16 US disclosed
WO-2008116809-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A BISPHOSPHONATE AND VITAMIN D NOVARTIS AG (CH) 2008-10-02 WO disclosed
EP-1972341-A1 Pharmaceutical compositions comprising a bisphosphonate and vitamin D Novartis AG (CH) 2008-09-24 EP disclosed
EP-1418897-A2 USE OF BISPHOSPHONATES IN THE TREATMENT OF BONE METASTASIS ASSOCIATED WITH PROSTATE CANCER Novartis AG (CH) 2004-05-19 EP 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
WO-2004024165-A1 COMBINATION THERAPY COMPRISING A BISPHOSPHONATE AND A HMG-COA REDUCTASE INHIBITOR NOVARTIS AG (CH) 2004-03-25 WO disclosed
US-20030181421-A1 Method of administering bisphosphonates NOVARTIS PHARMACEUTICALS CORPORATION 2003-09-25 US disclosed
WO-2002087555-A2 USE OF BISPHOSPHONATES IN THE TREATMENT OF BONE METASTASIS ASSOCIATED WITH PROSTATE CANCER NOVARTIS AG (CH) 2002-11-07 WO 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 (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-20040063670-A1 Use of bisphosphonates for pain treatment SOST, OPRL1, BPGM FDPS 465/4885SLC6A3 424/4885CYP3A4 3800/4885
US-20120027818-A1 BISPHOSPHONATE PRODUCT IN A CYCLOOLEFINIC POLYMER CONTAINER PGD, RICTOR, PAICS FDPS 90/4885SLC6A3 3652/4885CYP3A4 1500/4885
US-20030181421-A1 Method of administering bisphosphonates PTH1R, SOST, BPGM FDPS 620/4885SLC6A3 1574/4885CYP3A4 3119/4885
US-20090209493-A1 COMBINATION THERAPY COMPRISING A BISPHOSPHONATE AND A HMG-COA REDUCTASE INHIBITOR HMGCR, BPGM, HMGB2 FDPS 50/4885SLC6A3 2692/4885CYP3A4 1354/4885
US-20100047306-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BISPHOSPONATES PTEN, PPIP5K2, ACP3 FDPS 324/4885SLC6A3 246/4885CYP3A4 3060/4885
US-20080254089-A1 PHARMACEUTICAL PRODUCTS COMPRISING BISPHOSPHONATES PTH1R, PIK3CA, PPIP5K2 FDPS 296/4885SLC6A3 1897/4885CYP3A4 1839/4885

“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.