SCHEMBL1849023

SCHEMBL1849023

CC(=O)Oc1ccc(COC(=O)N(C)C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ AR P10275 1/20 0.37

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
SCHEMBL12440328 0.81 KMT2A (0.45) MAPTPOLBPKMLMNAALDH1A1
SCHEMBL7138745 0.80 ALDH1A1 (0.55) MAPTLMNAALDH1A1RAB9AKMT2A
SCHEMBL8033783 0.79 ALDH1A1 (0.62) MAPTPOLBPKMLMNAALDH1A1
SCHEMBL6666839 0.77 LMNA (0.53) MAPTPOLBPKMLMNAALDH1A1
SCHEMBL29162282 0.75 LMNA (0.47) MAPTPOLBPKMLMNAALDH1A1
SCHEMBL134546 0.74 LMNA (0.50) MAPTPOLBPKMLMNAALDH1A1
SCHEMBL17486683 0.74 ELANE (0.53) MAPTPOLBPKMLMNAALDH1A1
SCHEMBL12526433 0.74 LMNA (0.50) MAPTPOLBPKMLMNAALDH1A1
SCHEMBL4032287 0.74 ALDH1A1 (0.56) MAPTPOLBPKMLMNAALDH1A1
SCHEMBL8390062 0.74 THRB (0.55) MAPTPOLBPKMLMNAALDH1A1

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 MAPT 4414/4885POLB 375/4885PKM 1074/4885

“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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