SCHEMBL9945574

SCHEMBL9945574

CCc1oc(=O)oc1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
CALM1 P0DP23 1/20 0.41
CTRC Q99895 3/20 0.40
MEN1 O00255 1/20 0.38
ELANE P08246 1/20 0.38
KMT2A Q03164 1/20 0.38
IDH1 O75874 1/20 0.38
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
LMNA P02545 1/20 0.36
SORT1 Q99523 1/20 0.36
NQO1 P15559 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL29074286 0.90 CALM1 (0.50) CALM1CTRCMEN1ELANEKMT2A
SCHEMBL12849614 0.81 TSHR (0.43) CALM1CTRCMEN1ELANEKMT2A
SCHEMBL8233984 0.81 CALM1 (0.41) CALM1CTRCMEN1ELANEKMT2A
SCHEMBL10006132 0.81 CTRC (0.43) CALM1CTRCMEN1ELANEKMT2A
SCHEMBL9945576 0.80 CTRC (0.40) CALM1CTRCMEN1ELANEKMT2A
SCHEMBL8233981 0.77 CALM1 (0.41) CALM1CTRCMEN1ELANEKMT2A
SCHEMBL471973 0.76 CTRC (0.32) CTRC
SCHEMBL9945573 0.75 ALDH1A1 (0.57) IDH1MTNR1AMTNR1BLMNA
SCHEMBL7128881 0.73 PTGS1 (0.43) TP53CALM1MEN1KMT2ALMNA
SCHEMBL2536609 0.72 NQO1 (0.46) MTNR1AMTNR1BLMNANQO1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946144-B2 Phosphonated glycopeptide and lipoglycopeptide antibiotics and uses thereof for the prevention and treatment of bone and joint infections THE MEDICINES COMPANY (US) 2015-02-03 US disclosed
US-8901072-B2 Glycopeptide and lipoglycopeptide antibiotics with improved solubility THE MEDICINES COMPANY (US) 2014-12-02 US disclosed
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
EP-1928890-B1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC (CA) 2013-04-03 EP disclosed
US-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY THE MEDICINES COMPANY (US) 2012-06-14 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
US-20100113333-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS, INC. (CA) 2010-05-06 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 (3 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-20100113333-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS PGLS, BPGM, PAG1 TP53 2841/4885CALM1 4229/4885CTRC 4065/4885
US-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH TP53 2277/4885CALM1 4674/4885CTRC 4084/4885
US-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY NGLY1, LGALS3BP, GYPA TP53 972/4885CALM1 3501/4885CTRC 2181/4885

“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.