SCHEMBL12440328

SCHEMBL12440328

CCN(C)C(=O)OCc1ccc(OC(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ BCHE P06276 4/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ ACHE P22303 4/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL16015346 0.82 PRSS1 (0.48) KMT2AMEN1POLBMAPTBCHE
SCHEMBL24062673 0.81 PRSS1 (0.47) MAPTBCHEPRSS1TPSAB1ALDH1A1
SCHEMBL1849023 0.81 MAPT (0.42) KMT2AMEN1POLBMAPTPKM
SCHEMBL8033783 0.80 ALDH1A1 (0.62) KMT2AMEN1POLBMAPTPKM
SCHEMBL21896174 0.80 PRSS1 (0.49) MAPTLMNABCHEPRSS1TPSAB1
SCHEMBL14415491 0.80 PRSS1 (0.46) KMT2AMEN1POLBMAPTLMNA
SCHEMBL10107202 0.79 ALDH1A1 (0.56) KMT2AMAPTLMNABCHEALDH1A1
SCHEMBL6666839 0.79 LMNA (0.53) KMT2AMEN1POLBMAPTPKM
SCHEMBL19543351 0.78 LMNA (0.48) KMT2APOLBMAPTPKMLMNA
SCHEMBL14415495 0.77 PARP10 (0.50) KMT2AMEN1MAPTBCHEPRSS1

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 KMT2A 4393/4885MEN1 1679/4885POLB 375/4885

“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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