SCHEMBL4904932

SCHEMBL4904932

O=P(O)(O)C(O)(n1ccnc1)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 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 1/20 0.37
CYP11B2 P19099 1/20 0.37
TBXAS1 P24557 3/20 0.36
CYP19A1 P11511 3/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL4803854 0.78 FDPS (0.44) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL12474925 0.76 FDPS (0.47) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL3896437 0.75 FDPS (0.46) FDPSGGPS1BTN3A1CA12CA2
Water SCHEMBL5555771 0.69 FDPS (0.43) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL2523006 0.69
SCHEMBL6692416 0.69
Zoledronic Acid Anhydrous SCHEMBL1586366 0.67 FDPS (1.00) FDPSGGPS1BTN3A1CA12CA2
Zoledronic Acid Anhydrous SCHEMBL19054 0.67 FDPS (1.00) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL17124811 0.66 CYP11B1 (0.48) CA2LMNACYP11B1CYP11B2TBXAS1
Zoledronic Acid Anhydrous SCHEMBL515095 0.66 FDPS (0.96) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312440-A1 SYNTHESIS OF DRUG CONJUGATES VIA REACTION WITH EPOXIDE-CONTAINING LINKERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-12-18 US claimed
US-20180362559-A1 BONE ACTIVE NITROGEN-CONTAINING BISPHOSPHONATES WITH A NEAR INFRARED FLUORESCENT LABEL UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2018-12-20 US disclosed
WO-2017053486-A1 BONE ACTIVE NITROGEN-CONTAINING BISPHOSPHONATES WITH A NEAR INFRARED FLUORESCENT LABEL UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-03-30 WO disclosed
US-20130203998-A1 Synthesis of Drug Conjugates Via Reaction With Epoxide-Containing Linkers UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-08-08 US disclosed
US-8431714-B2 Synthesis of drug conjugates via reaction with epoxide-containing linkers UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-04-30 US disclosed
US-20080312440-A1 SYNTHESIS OF DRUG CONJUGATES VIA REACTION WITH EPOXIDE-CONTAINING LINKERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-12-18 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 (3 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-20080312440-A1 SYNTHESIS OF DRUG CONJUGATES VIA REACTION WITH EPOXIDE-CONTAINING LINKERS EPHX2, EPHX1, ENPP1 FDPS 58/4885GGPS1 14/4885BTN3A1 3840/4885
US-20180362559-A1 BONE ACTIVE NITROGEN-CONTAINING BISPHOSPHONATES WITH A NEAR INFRARED FLUORESCENT LABEL PTH1R, BMP2, CALCR FDPS 1415/4885GGPS1 110/4885BTN3A1 1354/4885
US-20130203998-A1 Synthesis of Drug Conjugates Via Reaction With Epoxide-Containing Linkers EPHX2, EPHX1, ENPP1 FDPS 58/4885GGPS1 14/4885BTN3A1 3840/4885

“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.