SCHEMBL17191842

SCHEMBL17191842

CC(C)(C)c1nc2cc(O)c(O)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SCN10A Q9Y5Y9 2/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
AR P10275 4/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
GCGR P47871 1/20 0.36
SRC P12931 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
BRAF P15056 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL846648 0.84 KDM4E (0.56) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL10248126 0.78 FABP6 (0.55) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL18659837 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL10248206 0.77 AR (0.58) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL20033691 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL12057079 0.76 KDM4E (0.54) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL17191953 0.75 SRC (0.41) ALDH1A1SMN1; SMN2L3MBTL1KDM4EMAPT
SCHEMBL19749170 0.74 AMY1A (0.46) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL2266880 0.74 POLB (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL23619188 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2

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-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 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 (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 ALDH1A1 1437/4885SMN1; SMN2 4325/4885L3MBTL1 2354/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 ALDH1A1 3320/4885SMN1; SMN2 4571/4885L3MBTL1 3363/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL ALDH1A1 1437/4885SMN1; SMN2 4325/4885L3MBTL1 2354/4885

“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.