SCHEMBL2446970

SCHEMBL2446970

Cc1ccc(S(=O)(=O)OC[C@]2(CC(C)(C)C)CCCN2C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 1/20 0.37
STAT3 P40763 1/20 0.37
ALDH1A1 P00352 6/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.35
PKM P14618 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD11B1 P28845 2/20 0.34
GAA P10253 1/20 0.34
APP P05067 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL1319262 0.83 GAA (0.42) CYP2C19PKMGAA
SCHEMBL28310610 0.83 KMT2A (0.43) KMT2ACYP2C19STAT3ALDH1A1HPGD
SCHEMBL143673 0.83 KMT2A (0.39) KMT2ACYP2C19STAT3ALDH1A1HPGD
SCHEMBL3981081 0.83 KMT2A (0.39) KMT2ACYP2C19STAT3ALDH1A1HPGD
SCHEMBL82964 0.81 GAA (0.42) CYP2C19ALDH1A1PKMGAA
SCHEMBL3479164 0.80 STAT3 (0.40) KMT2ACYP2C19STAT3ALDH1A1HPGD
SCHEMBL28310624 0.77 KMT2A (0.43) KMT2ACYP2C19STAT3ALDH1A1HSD11B1
SCHEMBL2446969 0.76 KMT2A (0.41) KMT2AALDH1A1HPGDNPSR1HSD17B10
SCHEMBL16538612 0.75 PSMD10 (0.39) KMT2ACYP2C19STAT3ALDH1A1HPGD
SCHEMBL16538626 0.75 PSMD10 (0.39) KMT2ACYP2C19STAT3ALDH1A1HPGD

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-8722727-B2 Antifungal agents Seynix, Inc. (US) 2014-05-13 US disclosed
US-20110224228-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-15 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-20110224228-A1 ANTIFUNGAL AGENTS GMDS, GBA3, UGGT1 KMT2A 4698/4885CYP2C19 446/4885STAT3 4204/4885

“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.