SCHEMBL7045941

SCHEMBL7045941

CC(C)OP(=O)(OC(C)C)C(=O)P(=O)(OC(C)C)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HMGCR P04035 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL8052562 0.80 CTSA (0.43) CTSAACHEKDM4ETDP1TSHR
SCHEMBL10395342 0.74 CTSA (0.43) CTSAACHEKDM4ETDP1ALDH1A1
SCHEMBL11737808 0.71 CTSA (0.41) CTSAACHEKDM4ETDP1TSHR
SCHEMBL10029059 0.69 ALDH1A1 (0.34) CTSAACHEKDM4EALDH1A1POLB
SCHEMBL18486500 0.69 MMP1 (0.50) CTSAACHEKDM4EALDH1A1KMT2A
SCHEMBL6681748 0.69 CTSA (0.50) CTSAACHEKDM4ETDP1TSHR
SCHEMBL268599 0.69 CTSA (0.50) CTSAACHEKDM4ETDP1TSHR
Phosphorylisopropane SCHEMBL82996 0.69
SCHEMBL4832489 0.69 CTSA (0.39) CTSAACHEALDH1A1L3MBTL1HMGCR
SCHEMBL80155 0.67 CTSA (0.56) CTSAACHEKDM4ETDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6147245-A Preparation and use of α-Keto Bisphosphonates UNIVERSITY OF SOUTHERN CALIFORNIA UNIVERSITY PARK (US) 2000-11-14 US claimed
US-20080200679-A1 Alpha-HYDROXY, alpha-SUBSTITUTED METHYLENEBISPHOSPHONATES AND PHOSPHONOACETATES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-08-21 US disclosed
US-20080200679-A1 Alpha-HYDROXY, alpha-SUBSTITUTED METHYLENEBISPHOSPHONATES AND PHOSPHONOACETATES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-08-21 US disclosed
WO-2003011221-A2 PREPARATION AND USE OF α-KETO PHOSPHONATES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2003-02-13 WO disclosed
EP-1097160-A4 PREPARATION AND USE OF ALPHA-KETO BISPHOSPHONATES UNIV SOUTHERN CALIFORNIA (US) 2002-06-12 EP disclosed
EP-1097160-A1 PREPARATION AND USE OF ALPHA-KETO BISPHOSPHONATES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2001-05-09 EP disclosed
US-6147245-A Preparation and use of α-Keto Bisphosphonates UNIVERSITY OF SOUTHERN CALIFORNIA UNIVERSITY PARK (US) 2000-11-14 US disclosed
WO-2000002889-A1 PREPARATION AND USE OF α-KETO BISPHOSPHONATES THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2000-01-20 WO 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-20080200679-A1 Alpha-HYDROXY, alpha-SUBSTITUTED METHYLENEBISPHOSPHONATES AND PHOSPHONOACETATES GRHPR, PHPT1, PHYKPL CTSA 4432/4885ACHE 2071/4885KDM4E 3921/4885

“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.