SCHEMBL3309690

SCHEMBL3309690

O=C(CBr)NC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.42
MMP2 P08253 5/20 0.42
CA14 Q9ULX7 1/20 0.42
ENO1 P06733 1/20 0.36
CA2 P00918 3/20 0.34
CA4 P22748 1/20 0.34
ASAH1 Q13510 1/20 0.33
MMP8 P22894 3/20 0.32
MMP9 P14780 2/20 0.32
MMP14 P50281 1/20 0.32
MMP1 P03956 3/20 0.31
CA9 Q16790 3/20 0.31
CA1 P00915 2/20 0.31
MMP3 P08254 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
SCHEMBL18161698 0.84 ASAH1 (0.35) CA12MMP2ENO1CA2ASAH1
SCHEMBL10718498 0.76 CA12 (0.38) CA12MMP2CA14ENO1CA2
SCHEMBL22590166 0.76 CTSC (0.41) CA12MMP2CA14ENO1CA2
SCHEMBL11656666 0.76 CYP2C9 (0.46) CA12MMP2CA14ENO1CA2
SCHEMBL4635288 0.73 ALDH1A1 (0.37) CA12MMP2CA14ENO1CA2
SCHEMBL18825531 0.71 KDM4E (0.37) CA12MMP2CA14
SCHEMBL1847963 0.71 GAA (0.43) CA12CA2ASAH1CA9CA1
SCHEMBL18825589 0.71 CAMK2A (0.36) CA12MMP2CA14ENO1CA2
SCHEMBL4633674 0.70 LMNA (0.41) CA12MMP2CA14
SCHEMBL18825533 0.70 FAAH (0.34) CA12MMP2CA14ENO1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828398-B2 Compound for bone scanning and use thereof TAIWAN HOPAX CHEMS. MFG. CO., LTD. (TW) 2017-11-28 US disclosed
EP-3085390-A1 COMPOUND FOR BONE SCANNING AND USE THEREOF Taiwan Hopax Chems. Mfg. Co., Ltd. (TW) 2016-10-26 EP disclosed
US-20160304545-A1 COMPOUND FOR BONE SCANNING AND USE THEREOF TAIWAN HOPAX CHEMS. MFG. CO., LTD. (TW) 2016-10-20 US disclosed
US-8946144-B2 Phosphonated glycopeptide and lipoglycopeptide antibiotics and uses thereof for the prevention and treatment of bone and joint infections THE MEDICINES COMPANY (US) 2015-02-03 US disclosed
US-20100113333-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS, INC. (CA) 2010-05-06 US disclosed
EP-2097440-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Inc. (CA) 2009-09-09 EP disclosed
WO-2008077241-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS, INC. (CA) 2008-07-03 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 (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-20160304545-A1 COMPOUND FOR BONE SCANNING AND USE THEREOF SOST, BPGM, PPIP5K2 CA12 2183/4885MMP2 2424/4885CA14 1418/4885
US-20100113333-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS PGLS, BPGM, PAG1 CA12 2457/4885MMP2 946/4885CA14 1693/4885

“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.