SCHEMBL57729

SCHEMBL57729

O=C(NC(CCP(=O)(O)O)C(=O)O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 6/20 0.54
MME P08473 5/20 0.54
TACR1 P25103 2/20 0.53
KYNU Q16719 1/20 0.53
PPARA Q07869 2/20 0.52
PPARG P37231 1/20 0.51
CTSK P43235 2/20 0.50
ITGB3 P05106 2/20 0.50
ITGAV P06756 2/20 0.50
FOLH1 Q04609 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50

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
SCHEMBL21174139 1.00 ECE1 (0.54) ECE1MMETACR1KYNUPPARA
SCHEMBL21174225 1.00 ECE1 (0.54) ECE1MMETACR1KYNUPPARA
SCHEMBL56605 0.99 ECE1 (0.53) ECE1MMETACR1KYNUPPARA
SCHEMBL21174062 0.92 TACR1 (0.53) ECE1MMETACR1KYNUCTSK
SCHEMBL21174049 0.92 TACR1 (0.53) ECE1MMETACR1KYNUCTSK
SCHEMBL56432 0.92 TACR1 (0.53) ECE1MMETACR1KYNUCTSK
SCHEMBL3171832 0.91 ECE1 (0.57) ECE1MMETACR1KYNUPPARA
SCHEMBL13530114 0.91 ECE1 (0.57) ECE1MMETACR1KYNUPPARA
SCHEMBL3354986 0.90 KYNU (0.63) TACR1KYNUCTSKSIRT2SIRT1
SCHEMBL56606 0.88 TACR1 (0.50) TACR1KYNUCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008137446-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RESPIRATORY DISEASE TRUSTEES OF BOSTON UNIVERSITY (US) 2008-11-13 WO claimed
EP-3514160-B1 NAHLSGEN OPTICAL RESOLUTION METHOD UNIV KYOTO (JP) 2021-08-11 EP disclosed
US-10774098-B2 Nahlsgen optical resolution method KYOTO UNIVERSITY (JP) 2020-09-15 US disclosed
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD KYOTO UNIVERSITY (JP) 2019-07-25 US disclosed
EP-3514160-A1 NAHLSGEN OPTICAL RESOLUTION METHOD Kyoto University (JP) 2019-07-24 EP disclosed
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 US disclosed
WO-2008137446-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RESPIRATORY DISEASE TRUSTEES OF BOSTON UNIVERSITY (US) 2008-11-13 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 (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-10774098-B2 Nahlsgen optical resolution method HACL2, HAO2, HPD ECE1 3743/4885MME 2245/4885TACR1 2595/4885
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 ECE1 1671/4885MME 3874/4885TACR1 3099/4885
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD HACL2, HAO2, HPD ECE1 3743/4885MME 2245/4885TACR1 2595/4885

“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.