SCHEMBL2978652

SCHEMBL2978652

COC(=O)CCCOc1cc(C(=O)OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MYC P01106 1/20 0.47
MAX P61244 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
AR P10275 1/20 0.43
PELP1 Q8IZL8 1/20 0.43
POLB P06746 1/20 0.42
KCNH2 Q12809 1/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL7342938 0.85 MYC (0.55) AKR1C3AKR1C2AKR1C1ALDH1A1MYC
SCHEMBL30892476 0.85 MYC (0.55) AKR1C3AKR1C2AKR1C1ALDH1A1MYC
SCHEMBL2146139 0.84 HTT (0.58) ALDH1A1MYCMAXMEN1KMT2A
SCHEMBL30082879 0.81 MYC (0.59) AKR1C3AKR1C2AKR1C1ALDH1A1MYC
SCHEMBL527105 0.81 MYC (0.59) AKR1C3AKR1C2AKR1C1ALDH1A1MYC
SCHEMBL11704439 0.81 MYC (0.55) AKR1C3AKR1C2AKR1C1ALDH1A1MYC
SCHEMBL24100292 0.80 AR (0.56) AKR1C3AKR1C2AKR1C1ALDH1A1MYC
SCHEMBL10319262 0.79 MAPT (0.47) AKR1C3AKR1C2AKR1C1ALDH1A1MYC
SCHEMBL9579844 0.79 MAPT (0.48) AKR1C3AKR1C2AKR1C1ALDH1A1MYC
SCHEMBL12114408 0.78 MAPT (0.50) ALDH1A1MYCMAXMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781459-B2 Carboxyalkoxy-substituted acyl-carboxyphenylurea derivatives and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-24 US disclosed
US-20070088083-A1 CARBOXYALKOXY-SUBSTITUTED ACYL-CARBOXYPHENYLUREA DERIVATIVES AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US disclosed
US-20040157922-A1 Carboxyalkoxy-substituted acyl-carboxyphenylurea derivatives and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-12 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-20040157922-A1 Carboxyalkoxy-substituted acyl-carboxyphenylurea derivatives and their use as medicaments CPS1, DPP4, ACAA2 AKR1C3 1058/4885AKR1C2 694/4885AKR1C1 990/4885
US-20070088083-A1 CARBOXYALKOXY-SUBSTITUTED ACYL-CARBOXYPHENYLUREA DERIVATIVES AND THEIR USE AS MEDICAMENTS CPS1, ACAA2, GLS AKR1C3 1172/4885AKR1C2 806/4885AKR1C1 1288/4885

“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.