SCHEMBL16625869

SCHEMBL16625869

Cc1ccc(OS(=O)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.36
TEAD4 Q15561 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.33
RELA Q04206 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
SCHEMBL776590 0.77 ACHE (0.48) ACHETSHRCYP3A4LMNACA1
SCHEMBL16171303 0.75 ACHE (0.38) ACHETSHRCYP3A4LMNACA1
SCHEMBL16804123 0.75 ACHE (0.46) ACHETSHRCYP3A4LMNACA1
SCHEMBL21077473 0.73 ACHE (0.44) ACHETSHRCYP3A4LMNACA1
SCHEMBL497622 0.73 LMNA (0.46) ACHETSHRCYP3A4LMNACA1
SCHEMBL9846737 0.73 ACHE (0.44) ACHETSHRCYP3A4LMNACA1
SCHEMBL3883731 0.71 ACHE (0.48) ACHETSHRCYP3A4LMNACA1
SCHEMBL3884014 0.70 HTT (0.48) ACHETSHRCYP3A4LMNACA1
SCHEMBL3887583 0.67 ACHE (0.38) ACHETSHRCYP3A4LMNACA1
SCHEMBL6516593 0.65 ACHE (0.46) ACHETSHRCYP3A4LMNACA1

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-9206198-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20150099729-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-04-09 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-20150099729-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ACHE 4856/4885TSHR 1548/4885CYP3A4 4451/4885

“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.