SCHEMBL9945642

SCHEMBL9945642

CC(=O)Oc1ccccc1C(C)(C)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.42

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
SCHEMBL9945569 0.86 TDP1 (0.50) PTGS2TDP1KDM4EHSD17B10ALDH1A1
SCHEMBL1789658 0.85 TDP1 (0.60) PTGS2TDP1KDM4EHSD17B10ALDH1A1
SCHEMBL7153401 0.83 TDP1 (0.39) PTGS2TDP1KDM4EHSD17B10ALDH1A1
SCHEMBL1577432 0.79 PTGS2 (0.52) PTGS2TDP1KDM4EHSD17B10ALDH1A1
SCHEMBL2335330 0.79 PTGS2 (0.51) PTGS2TDP1KDM4EHSD17B10ALDH1A1
SCHEMBL1788419 0.79 PTGS2 (0.47) PTGS2TDP1KDM4EHSD17B10ALDH1A1
SCHEMBL9945641 0.79 TDP1 (0.36) PTGS2TDP1KDM4EHSD17B10ALDH1A1
SCHEMBL11004707 0.79 PTGS2 (0.51) PTGS2TDP1KDM4EHSD17B10ALDH1A1
SCHEMBL7622740 0.77 PTGS2 (0.46) PTGS2TDP1KDM4EHSD17B10ALDH1A1
SCHEMBL12440080 0.77 KDM4E (0.49) TDP1KDM4EHSD17B10ALDH1A1HPGD

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
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-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY THE MEDICINES COMPANY (US) 2012-06-14 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
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 (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-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH PTGS2 3584/4885TDP1 3195/4885KDM4E 4561/4885
US-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY NGLY1, LGALS3BP, GYPA PTGS2 4168/4885TDP1 3648/4885KDM4E 4472/4885
US-20110263534-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH PTGS2 3584/4885TDP1 3195/4885KDM4E 4561/4885

“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.