SCHEMBL12440384

SCHEMBL12440384

CCC(=O)OCOC(=O)NCC(=O)OCC(C)OC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.32

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
SCHEMBL12514827 0.86 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1HSD17B10GAA
SCHEMBL445120 0.82 NAAA (0.39) ALDH1A1
SCHEMBL27869581 0.75 NAAA (0.34) ALDH1A1
SCHEMBL223951 0.75 NAAA (0.34) ALDH1A1
SCHEMBL12440385 0.73 GAA (0.34) ALDH1A1HSD17B10GAA
SCHEMBL10087936 0.70 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HSD17B10GAA
SCHEMBL26267516 0.70 NAAA (0.35) SMN1; SMN2ALDH1A1GAA
SCHEMBL13235996 0.69 MEN1 (0.41) SMN1; SMN2GAA
SCHEMBL20882707 0.68 GAA (0.46) SMN1; SMN2ALDH1A1GAA
SCHEMBL28061919 0.68 NAAA (0.34) ALDH1A1

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-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

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 SMN1; SMN2 4485/4885ALDH1A1 3493/4885HSD17B10 3047/4885

“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.