SCHEMBL15680669

SCHEMBL15680669

CNC(=O)C(=O)c1ccc(O)c(O)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ SELL P14151 1/20 0.38
▸ SELP P16109 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ GAA P10253 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ HSD17B14 Q9BPX1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL15680226 0.83 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1ASELL
SCHEMBL15495182 0.81 GAA (0.48) ADRA2AADRA2BADRA2CADRA1ASELL
SCHEMBL15680140 0.81 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1ACES2
SCHEMBL19426095 0.81 ALDH1A1 (0.41) ADRA2AADRA2BADRA2CADRA1ACES2
SCHEMBL19426122 0.80 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1ASELL
SCHEMBL15680139 0.79 CES2 (0.42) ADRA2AADRA2BADRA2CADRA1ACES2
SCHEMBL17193009 0.79 SELL (0.38) SELLSELPHDAC1KDM4EALDH1A1
SCHEMBL17191831 0.75 CES2 (0.38) ADRA2AADRA2BADRA2CADRA1ACES2
SCHEMBL15495180 0.75 SELL (0.45) ADRA2AADRA2BADRA2CADRA1ASELL
SCHEMBL30884786 0.75 SELL (0.45) ADRA2AADRA2BADRA2CADRA1ASELL

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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 — — US disclosed
US-20150344502-A1 CEPHEM COMPOUND SHIONOGI & CO., LTD. (JP) 2015-12-03 — — US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 — — US disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 — — 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL ADRA2A 2852/4885ADRA2B 3350/4885ADRA2C 2793/4885
US-20150344502-A1 CEPHEM COMPOUND PRMT6, CEP170, NR0B1 ADRA2A 1032/4885ADRA2B 527/4885ADRA2C 1443/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 ADRA2A 2726/4885ADRA2B 2986/4885ADRA2C 1825/4885

“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.

Send feedback