SCHEMBL2443356

SCHEMBL2443356

Cc1ccc(S(=O)(=O)OC[C@@H]2CCCC2(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
STAT3 P40763 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 2/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
ENPP3 O14638 2/20 0.36
ENPP1 P22413 2/20 0.36
ENPP2 Q13822 2/20 0.36
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.34
PKM P14618 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
SCHEMBL20014131 0.79 KMT2A (0.40) ALDH1A1POLBTP53STAT3CYP3A4
SCHEMBL20569464 0.78 SMN1; SMN2 (0.39) ALDH1A1POLBTP53STAT3CYP3A4
SCHEMBL29117143 0.74 STAT3 (0.43) ALDH1A1STAT3CYP2D6KMT2ACTDSP1
SCHEMBL20014121 0.73 STAT3 (0.39) ALDH1A1POLBTP53STAT3CYP3A4
SCHEMBL30565480 0.73 STAT3 (0.39) ALDH1A1POLBTP53STAT3CYP3A4
SCHEMBL21987509 0.72 STAT3 (0.41) ALDH1A1POLBTP53STAT3CYP3A4
SCHEMBL21987513 0.72 STAT3 (0.41) ALDH1A1POLBTP53STAT3CYP3A4
SCHEMBL18093650 0.71 CYP2D6 (0.51) ALDH1A1POLBTP53STAT3CYP3A4
SCHEMBL10152487 0.70 STS (0.40) ALDH1A1POLBTP53STAT3CYP2D6
SCHEMBL1716892 0.70 STAT3 (0.36) ALDH1A1STAT3CYP3A4CYP2C19CYP2D6

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 ALDH1A1 720/4885POLB 3073/4885TP53 1941/4885

“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.