SCHEMBL5015606

SCHEMBL5015606

O=[PH](O)C(O)(Cc1cccnc1)[PH](=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.57
BTN3A1 O00481 1/20 0.57
PDE3A Q14432 1/20 0.57
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
NAPRT Q6XQN6 1/20 0.47
KCNA5 P22460 1/20 0.46
CYP2D6 P10635 1/20 0.43
RECQL P46063 1/20 0.42
CHRNA7 P36544 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
SCHEMBL12309777 0.80 FDPS (0.66) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL15451137 0.80 FDPS (0.50) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL10073143 0.79 FDPS (0.53) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL14980355 0.75 CYP1A2 (0.57) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL15516269 0.74 CYP1A2 (0.61) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL14036231 0.74 CYP1A2 (0.61) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL7382527 0.74 FDPS (0.54) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL27747578 0.74 NAPRT (0.53) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL8058455 0.74 CYP1A2 (0.56) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL9885374 0.73 FDPS (0.61) FDPSBTN3A1PDE3ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132471-A1 BISPHOSPHONATE INHALANT FORMULATIONS AND METHODS FOR USING THE SAME TEIKOKU PHARMA USA, INC. 2008-06-05 US disclosed
US-5869471-A Methods for the treatment of arthritis using phosphonates and NSAIDS THE PROCTOR & GAMBLE COMPANY (US) 1999-02-09 US disclosed
EP-0650361-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-05-03 EP disclosed
WO-1994000130-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-01-06 WO 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-20080132471-A1 BISPHOSPHONATE INHALANT FORMULATIONS AND METHODS FOR USING THE SAME BPGM, ENPEP, PTH1R FDPS 400/4885BTN3A1 791/4885PDE3A 441/4885

“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.