SCHEMBL19004884

SCHEMBL19004884

CC(O)(Cn1ccnc1)PO

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.50
GGPS1 O95749 3/20 0.49
BTN3A1 O00481 1/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
LMNA P02545 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
QPCT Q16769 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TBXAS1 P24557 6/20 0.40
IDH1 O75874 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.38

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
SCHEMBL20362365 0.81 FDPS (0.53) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL4241305 0.80 FDPS (0.56) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL19197676 0.76 FDPS (0.45) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL20283323 0.76 FDPS (0.42) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL2697302 0.76 CYP11B1 (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL18682716 0.75 FDPS (0.47) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL19864939 0.75 FDPS (0.47) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL20094967 0.74 FDPS (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL21475781 0.74 FDPS (0.46) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL18942353 0.74 FDPS (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827192-B2 Compositions for oral administration of zoledronic acid or related compounds for treating complex regional pain syndrome ANTECIP BIOVENTURES II LLC (US) 2017-11-28 US disclosed
US-20170172917-A1 COMPOSITIONS FOR ORAL ADMINISTRATION OF ZOLEDRONIC ACID OR RELATED COMPOUNDS FOR TREATING COMPLEX REGIONAL PAIN SYNDROME ANTECIP BIOVENTURES II LLC 2017-06-22 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 (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-20170172917-A1 COMPOSITIONS FOR ORAL ADMINISTRATION OF ZOLEDRONIC ACID OR RELATED COMPOUNDS FOR TREATING COMPLEX REGIONAL PAIN SYNDROME SOST, CALCR, TNNC1 FDPS 2048/4885GGPS1 1051/4885BTN3A1 950/4885

“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.