SCHEMBL57134

SCHEMBL57134

O=C(NC(CCP(=O)(O)OCc1ccc(C(=O)OCc2ccccc2)cc1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KYNU Q16719 1/20 0.47
TACR1 P25103 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CETP P11597 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CTSK P43235 4/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
ELANE P08246 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 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
SCHEMBL56465 0.89 PPARA (0.52) KYNUTACR1KMT2APPARGPPARA
SCHEMBL57114 0.88 ATM (0.55) POLBKYNUALDH1A1CTSKRAB9A
SCHEMBL56934 0.88 CASP1 (0.53) KYNUTACR1PPARGPPARACETP
SCHEMBL57804 0.86 KYNU (0.48) KYNUTACR1ALDH1A1CTSKELANE
SCHEMBL56613 0.86 CTSS (0.49) KYNUTACR1CTSKCTSLCTSB
SCHEMBL21174053 0.85 KYNU (0.58) KYNUTACR1ALDH1A1CTSKELANE
SCHEMBL21189192 0.85 KYNU (0.58) KYNUTACR1ALDH1A1CTSKELANE
SCHEMBL57867 0.83 CASP1 (0.47) KYNUTACR1CETPALDH1A1CTSK
SCHEMBL57136 0.83 KYNU (0.48) POLBKYNUTACR1LMNACTSK
SCHEMBL21174062 0.82 TACR1 (0.53) KYNUTACR1ALDH1A1CTSKELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 POLB 841/4885KYNU 2527/4885TACR1 3099/4885

“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.