SCHEMBL1949487

SCHEMBL1949487

CC(C)(C)C(=O)ONS(=O)(=O)c1cccc(C(=O)OCc2ccccc2)c1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL20083681 0.75 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL1926122 0.73 ITGAV (0.40) CYP3A4KMT2ACYP2C19
SCHEMBL1925365 0.73 ALOX15 (0.35)
SCHEMBL23871905 0.72 ALDH1A1 (0.54) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL14395398 0.71 ALDH1A1 (0.63) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL10404772 0.70 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL10404771 0.70 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL11315487 0.69 ELANE (0.61) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL1926037 0.68 KDM4E (0.41) ALDH1A1TDP1TSHRMAPK1SLC6A3
SCHEMBL31372612 0.67 ELANE (0.69) ALDH1A1TDP1L3MBTL1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 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-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 ALDH1A1 198/4885TDP1 1834/4885L3MBTL1 844/4885

“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.