SCHEMBL2532378

SCHEMBL2532378

Cc1ccc(CCCc2cncn2CC(O)(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 11/20 0.44
▸ CYP11B1 P15538 7/20 0.39
▸ CYP11B2 P19099 7/20 0.39
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ GGPS1 O95749 2/20 0.35
▸ BTN3A1 O00481 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35

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
SCHEMBL2532821 0.88 CYP11B1 (0.50) FDPSCYP11B1CYP11B2PTPN2PTPN1
SCHEMBL1157059 0.82 GGPS1 (0.47) FDPSCYP11B1CYP11B2GGPS1BTN3A1
SCHEMBL2529194 0.80 CYP11B1 (0.46) FDPSCYP11B1CYP11B2GGPS1BTN3A1
SCHEMBL1083518 0.79 FDPS (0.49) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL1028191 0.76 FDPS (0.51) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL1029369 0.75 FDPS (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL1027186 0.75 FDPS (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL1028197 0.73 FDPS (0.58) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL8806542 0.69 CYP11B1 (0.40) CYP11B1CYP11B2LMNA
SCHEMBL3820773 0.69 CYP11B1 (0.76) CYP11B1CYP11B2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — 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-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS PTEN, INPP5D, PPIP5K2 FDPS 562/4885CYP11B1 2146/4885CYP11B2 2431/4885

“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.

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