SCHEMBL20094967

SCHEMBL20094967

CC(O)(Cn1ccnc1)[PH](O)(O)O

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
ALDH1A1 P00352 1/20 0.40
TBXAS1 P24557 6/20 0.40
IDH1 O75874 2/20 0.39
EGLN3 Q9H6Z9 1/20 0.38
QPCT Q16769 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
SCHEMBL18860371 0.81 FDPS (0.53) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL4241305 0.80 FDPS (0.56) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL18713189 0.79 FDPS (0.47) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL19504647 0.76 FDPS (0.45) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL2697302 0.76 CYP11B1 (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL13105208 0.75 CYP11B1 (0.53) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL18682716 0.75 FDPS (0.47) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL18713191 0.75 FDPS (0.47) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL19004884 0.74 FDPS (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL20940204 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-10039773-B2 Neridronic acid for treating arthritis ANTECIP BIOVENTURES II LLC (US) 2018-08-07 US disclosed
US-20180110789-A1 OSTEOCLAST INHIBITORS FOR KNEE CONDITIONS ANTECIP BIOVENTURES II LLC 2018-04-26 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 (2 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-10039773-B2 Neridronic acid for treating arthritis SOST, NRDC, NMUR1 FDPS 1337/4885GGPS1 674/4885BTN3A1 1740/4885
US-20180110789-A1 OSTEOCLAST INHIBITORS FOR KNEE CONDITIONS SOST, CSF1R, NFKBIA FDPS 1333/4885GGPS1 992/4885BTN3A1 2426/4885

“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.