SCHEMBL460184

SCHEMBL460184

O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.[H+]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.72
CYP1A2 P05177 3/20 0.53
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
CDK2 P24941 1/20 0.50
COMT P21964 1/20 0.46
APEX1 P27695 1/20 0.45
MEN1 O00255 1/20 0.45
NSD2 O96028 1/20 0.45
POLB P06746 1/20 0.45
IDE P14735 1/20 0.45
DUSP3 P51452 1/20 0.45
CCR6 P51684 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
ATIC P31939 2/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
DNMT1 P26358 1/20 0.44

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
SCHEMBL30233642 0.97 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL29363198 0.97 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL6242 0.97 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
Water SCHEMBL242080 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL2290618 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Ammonia Solution, Strong SCHEMBL25312340 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Ammonia Solution, Strong SCHEMBL10954121 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Hydrochloric Acid SCHEMBL7455908 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL8028660 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Lithium SCHEMBL18420655 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614049-B1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES Nabriva Therapeutics GmbH (AT) 2018-02-28 EP disclosed
US-9278920-B2 Pleuromutilin derivatives for use in the treatment of diseases mediated by microbes NABRIVA THERAPEUTICS AG (AT) 2016-03-08 US disclosed
US-20130274329-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2013-10-17 US disclosed
EP-2614049-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES Nabriva Therapeutics AG (AT) 2013-07-17 EP disclosed
EP-2433926-A1 Pleuromutilin derivatives for use in the treatment of diseases mediated by microbes Nabriva Therapeutics AG (AT) 2012-03-28 EP disclosed
WO-2012031307-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2012-03-15 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-20130274329-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES Q6ZSR9, CUTA, MC4R TTR 13/4885CYP1A2 1566/4885AURKA 1178/4885

“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.