SCHEMBL17303510

SCHEMBL17303510

CNC(=O)C(=O)c1cc(O)c(O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ CES2 O00748 4/20 0.35
▸ CES1 P23141 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 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
SCHEMBL17193013 0.81 GAA (0.34) GAAADRA2AADRA2BADRA2CADRA1A
SCHEMBL19426094 0.80 SMN1; SMN2 (0.40) ADRA2AADRA2BADRA2CADRA1ACES2
SCHEMBL15495187 0.80 GAA (0.52) GAAADRA2AADRA2BADRA2CADRA1A
SCHEMBL19426131 0.79 ADRA2A (0.36) GAAADRA2AADRA2BADRA2CADRA1A
SCHEMBL17303514 0.78 CYP3A4 (0.39) ADRA2AADRA2BADRA2CADRA1ACES2
SCHEMBL17193091 0.77 ALDH1A1 (0.36) ALDH1A1TDP1HPGDALOX15TSHR
SCHEMBL15495179 0.73 ALOX15 (0.47) CES2CES1ALDH1A1TDP1HPGD
SCHEMBL22222148 0.72 CA12 (0.50) GAAALDH1A1TDP1HPGDTSHR
SCHEMBL15680142 0.72 CES2 (0.42) GAACES2CES1ALDH1A1TDP1
SCHEMBL7531392 0.71 GAA (0.66) GAACES2CES1ALDH1A1TDP1

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 GAA 31/4885ADRA2A 2852/4885ADRA2B 3350/4885
US-20150344502-A1 CEPHEM COMPOUND PRMT6, CEP170, NR0B1 GAA 4786/4885ADRA2A 1032/4885ADRA2B 527/4885

“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