SCHEMBL13884294

SCHEMBL13884294

CC(C)(C)Nc1ccc(S(=O)(=O)c2ccc(NC(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ MAPT P10636 5/20 0.55
▸ ATM Q13315 1/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ GAA P10253 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ PKM P14618 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 4/20 0.42
▸ ABCC9 O60706 2/20 0.42
▸ ABCC8 Q09428 2/20 0.42
▸ KCNJ11 Q14654 2/20 0.42
▸ KCNJ8 Q15842 2/20 0.42

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
SCHEMBL9230987 0.92 GAA (0.61) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL9228703 0.92 HTR6 (0.54) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL9229082 0.90 MAPT (0.47) ALDH1A1MAPTATMMEN1KMT2A
Hydrochloric Acid SCHEMBL9231987 0.90 HTR6 (0.52) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL9230339 0.90 HTR6 (0.59) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL9228688 0.87 ALDH1A1 (0.65) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL9232433 0.87 PKM (0.66) ALDH1A1MAPTGAACA1CA2
SCHEMBL9233195 0.86 KMT2A (0.60) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL9234891 0.86 PKM (0.68) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL9229178 0.86 MAPT (0.57) ALDH1A1MAPTATMMEN1KMT2A

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-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 — — US disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 — — US disclosed
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 — — 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-20070196859-A1 Novel antibacterial agents ENGASE, PEPD, PGLS ALDH1A1 1953/4885MAPT 4141/4885ATM 4578/4885
US-20070134729-A1 Novel antibacterial agents ENGASE, PGLS, PEPD ALDH1A1 2244/4885MAPT 3874/4885ATM 4549/4885
US-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD ALDH1A1 2244/4885MAPT 3874/4885ATM 4549/4885

“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