SCHEMBL4296989

SCHEMBL4296989

CC1Nc2ccc3cc(S(=O)(=O)O)ccc3c2C1(C)C.[KH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP6 P55212 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 3/20 0.39
SNCA P37840 2/20 0.38
NSD2 O96028 3/20 0.36
NT5E P21589 2/20 0.36
HIF1A Q16665 3/20 0.36
TSHR P16473 1/20 0.36
PTPRA P18433 1/20 0.36
PTPRB P23467 1/20 0.36

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
SCHEMBL4296863 0.99 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL3433055 0.90 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL1369159 0.80 SUMO2 (0.40) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL560834 0.78 CA1 (0.38) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL304685 0.76 CA1 (0.38) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL304686 0.76 CA1 (0.38) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL1714853 0.76 CASP6 (0.35) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL1305294 0.71 MEN1 (0.42) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL28948590 0.71 MEN1 (0.55) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL4296859 0.69 MEN1 (0.56) ALDH1A1MEN1KMT2ATDP1KDM4E

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-8071388-B2 Compositions and methods for biodetection by nucleic acid-templated chemistry ENSEMBLE THERAPEUTICS CORPORATION (US) 2011-12-06 US disclosed
US-20090275142-A1 COMPOSITIONS AND METHODS FOR BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY ENSEMBLE THERAPEUTICS CORPORATION 2009-11-05 US disclosed
EP-2066813-A2 COMPOSITIONS AND METHODS FOR BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY Ensemble Discovery Corporation (US) 2009-06-10 EP disclosed
WO-2008054600-A2 COMPOSITIONS AND METHODS FOR BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY ENSEMBLE DISCOVERY CORPORATION (US) 2008-05-08 WO 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-20090275142-A1 COMPOSITIONS AND METHODS FOR BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY POLRMT, NT5C3B, RNGTT ALDH1A1 3803/4885MEN1 1957/4885KMT2A 3161/4885

“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.