SCHEMBL12256997

SCHEMBL12256997

O=PC(NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)P=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.58
▸ EPHX2 P34913 1/20 0.45
▸ CASP3 P42574 2/20 0.43
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TLR2 O60603 2/20 0.40

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
SCHEMBL12761610 0.85 KMT2A (0.59) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL4634027 0.84 KMT2A (0.58) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL7743458 0.83 KMT2A (0.57) KMT2AEPHX2CASP3TLR2
SCHEMBL31652454 0.82 KMT2A (0.58) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL30106235 0.82 KMT2A (0.58) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL14008332 0.82 KMT2A (0.64) KMT2AEPHX2CASP3TLR2
SCHEMBL29904323 0.82 KMT2A (0.64) KMT2AEPHX2CASP3
SCHEMBL31546963 0.81 KMT2A (0.57) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL13525077 0.81 KMT2A (0.73) KMT2AEPHX2CASP3TLR2
SCHEMBL3140809 0.81 KMT2A (0.73) KMT2AEPHX2CASP3TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404664-B2 Phosphonated Rifamycins and uses thereof for the prevention and treatment of bone and joint infections TARGANTA THERAPEUTICS, INC. (CA) 2013-03-26 — — US disclosed
US-20110263534-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS, INC. 2011-10-27 — — 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-20110263534-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH KMT2A 4393/4885EPHX2 3510/4885CASP3 2193/4885

“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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