SCHEMBL1853433

SCHEMBL1853433

Nc1ccc(CC(Cc2ccc(N)cc2)(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.68
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
GFER P55789 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GGPS1 O95749 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
EPHX2 P34913 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
PTPN1 P18031 2/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
ESRRG P62508 1/20 0.36

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
SCHEMBL271001 0.81 FDPS (1.00) FDPSANPEPERAP2GFERALDH1A1
SCHEMBL743234 0.81 FDPS (0.66) FDPSANPEPERAP2GFERALDH1A1
SCHEMBL18107090 0.79 FDPS (0.96) FDPSANPEPERAP2GFERALDH1A1
SCHEMBL31729556 0.78 FDPS (0.67) FDPSANPEPERAP2GFERALDH1A1
SCHEMBL10486934 0.78 ANPEP (0.46) FDPSANPEPERAP2TSHREPHX2
SCHEMBL1851869 0.75 AKR1C3 (0.56) ALDH1A1TSHRLOXL2PGK1PGK2
SCHEMBL24067219 0.74 FDPS (0.61) FDPSANPEPERAP2GFERALDH1A1
SCHEMBL29353175 0.74 FDPS (0.77) FDPSANPEPERAP2GFERGGPS1
SCHEMBL532694 0.73 PGK1 (0.55) FDPSANPEPERAP2GFERALDH1A1
Phosphoric Acid SCHEMBL6267680 0.72 MEN1 (0.57) FDPSANPEPERAP2GFERALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524691-B2 Phosphonated rifamycins and uses thereof for the prevention and treatment of bone and joint infections THE MEDICINES COMPANY (US) 2013-09-03 US disclosed
US-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS CORP. (US) 2011-07-21 US disclosed
EP-2324041-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Corp. (US) 2011-05-25 EP disclosed
WO-2010019511-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS CORP. (US) 2010-02-18 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-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH FDPS 7/4885ANPEP 258/4885ERAP2 2167/4885

“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.