SCHEMBL1026161

SCHEMBL1026161

CCc1cn(CC(=O)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 10/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CPB1 P15086 4/20 0.40
▸ AKR1B1 P15121 1/20 0.35
▸ ALPL P05186 2/20 0.35
▸ PLAA Q9Y263 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ ALPG P10696 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL4673968 0.81 ALDH1A1 (0.40) CPB2ALDH1A1CPB1AKR1B1CSNK2A2
SCHEMBL239541 0.79 CYP2C9 (0.49) CPB2ALDH1A1CPB1AKR1B1
SCHEMBL1911274 0.78 CPB2 (0.46) CPB2ALDH1A1CPB1ALOX15LMNA
Hydrochloric Acid SCHEMBL9803746 0.77 TDP1 (0.50) CPB2ALDH1A1CPB1AKR1B1
SCHEMBL4832580 0.77 ALPL (0.54) ALDH1A1AKR1B1ALPLPLAAALPG
SCHEMBL19602329 0.76 TAAR1 (0.41) CPB2ALDH1A1CPB1LMNA
SCHEMBL3955613 0.76 — —
SCHEMBL14523660 0.75 CPB2 (0.45) CPB2CPB1
SCHEMBL365026 0.75 CPB2 (0.45) CPB2CPB1
SCHEMBL1441194 0.74 CPB2 (0.50) CPB2ALDH1A1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225252-B1 C2-C5-ALKYL-IMIDAZOLE-BISPHOSPHONATES NOVARTIS AG (CH) 2012-06-27 — — EP disclosed
EP-2225252-B1 C2-C5-ALKYL-IMIDAZOLE-BISPHOSPHONATES NOVARTIS AG (CH) 2012-06-27 — — EP disclosed
US-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2011-09-15 — — US disclosed
US-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2011-09-15 — — US disclosed
US-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2011-09-15 — — US disclosed
US-7977323-B2 C2-C5-alkyl-imidazole-bisphosphonates NOVARTIS AG (CH) 2011-07-12 — — US disclosed
US-7977323-B2 C2-C5-alkyl-imidazole-bisphosphonates NOVARTIS AG (CH) 2011-07-12 — — US disclosed
US-7977323-B2 C2-C5-alkyl-imidazole-bisphosphonates NOVARTIS AG (CH) 2011-07-12 — — US disclosed
CN-102046152-A Pharmaceutical compositions containing bisphosphonates NOVARTIS AG 2011-05-04 — — CN disclosed
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2011-02-10 — — US disclosed
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2011-02-10 — — US disclosed
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2011-02-10 — — US disclosed
EP-2273980-A2 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE Novartis AG (CH) 2011-01-19 — — EP disclosed
CN-101835787-A C2-C5-alkyl-imidazole-bisphosphonates NOVARTIS AG 2010-09-15 — — CN disclosed
WO-2009121935-A2 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2009-10-08 — — WO disclosed
WO-2009121935-A2 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2009-10-08 — — WO disclosed
WO-2009068567-A1 C2-C5-ALKYL-IMIDAZOLE-BISPHOSPHONATES NOVARTIS AG (CH) 2009-06-04 — — WO disclosed
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2009-06-04 — — US disclosed
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2009-06-04 — — US disclosed
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2009-06-04 — — 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-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates INPP5B, PPIP5K2, INPPL1 CPB2 1983/4885ALDH1A1 4630/4885CPB1 1707/4885
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE SOST, SLC20A1, SLC34A1 CPB2 4200/4885ALDH1A1 3443/4885CPB1 3659/4885
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates PPIP5K2, INPP5B, INPPL1 CPB2 1761/4885ALDH1A1 4597/4885CPB1 1587/4885

“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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