SCHEMBL1607319

SCHEMBL1607319

CCc1ccccc1P(=O)(O)CCC=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.43
CFTR P13569 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.31
PTPN5 P54829 1/20 0.31

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
SCHEMBL6523567 0.82 TSHR (0.41) CFTRGABRA1GABRB2TSHRALDH1A1
SCHEMBL6522210 0.78 GABRA1 (0.41) CFTRGABRA1GABRB2TSHRALDH1A1
SCHEMBL5002506 0.75 GABRA1 (0.39) CFTRGABRA1GABRB2TSHRALDH1A1
SCHEMBL344617 0.74 PTK2B (0.46) GABRA1GABRB2TSHRALDH1A1PTPN5
SCHEMBL20526222 0.74 GABRA1 (0.44) CFTRGABRA1GABRB2TSHRALDH1A1
Hydrochloric Acid SCHEMBL10824664 0.72 PTK2B (0.44) GABRA1GABRB2TSHRALDH1A1PTPN5
SCHEMBL777944 0.71 PTPN5 (0.40) CFTRGABRA1GABRB2ALDH1A1PTPN5
SCHEMBL10448564 0.71 GABRA1 (0.41) GABRA1GABRB2TSHRALDH1A1CYP1A2
SCHEMBL2536276 0.71 GABRA1 (0.41) CFTRGABRA1GABRB2TSHRALDH1A1
SCHEMBL29019759 0.70 TSHR (0.47) TSHRCYP3A4CYP2C9HIF1A

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-9026372-B2 Methods for providing a system of care for a high-dose oxazaphosphorine drug regimen ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20110117050-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20110097426-A1 Methods for Safe and Effective Treatment Using Oxazaphosphorine Drugs ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110082115-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2011-04-07 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-20110117050-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen PAICS, TYMP, OTC AOX1 488/4885CFTR 4657/4885GABRA1 4058/4885
US-20110082115-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen PAICS, TYMP, OTC AOX1 488/4885CFTR 4657/4885GABRA1 4058/4885
US-20110097426-A1 Methods for Safe and Effective Treatment Using Oxazaphosphorine Drugs TYMP, PAICS, ENTPD5 AOX1 630/4885CFTR 4823/4885GABRA1 3118/4885

“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.