SCHEMBL4201426

SCHEMBL4201426

CC[C](CC)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
GAA P10253 3/20 0.45
STAT3 P40763 1/20 0.43
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 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
SCHEMBL311052 0.83 ALDH1A1 (0.53) ALDH1A1GAASTAT3F2PRSS1
SCHEMBL29170473 0.79 ALDH1A1 (0.49) ALDH1A1GAASTAT3F2PRSS1
SCHEMBL27280165 0.78 ALDH1A1 (0.56) ALDH1A1GAACA2CYP3A4CYP2C9
SCHEMBL10637725 0.78 ALDH1A1 (0.60) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL4881543 0.77 ALDH1A1 (0.55) ALDH1A1GAASTAT3F2PRSS1
SCHEMBL8842257 0.77 ALDH1A1 (0.50) ALDH1A1GAASTAT3F2PRSS1
SCHEMBL29098436 0.77 ALDH1A1 (0.54) ALDH1A1GAACA2CYP3A4CYP2C9
SCHEMBL443434 0.76 ALDH1A1 (0.53) ALDH1A1GAASTAT3F2PRSS1
SCHEMBL3836056 0.76 ALDH1A1 (0.58) ALDH1A1GAASTAT3F2PRSS1
SCHEMBL621606 0.75 ALDH1A1 (0.45) ALDH1A1GAAF2PRSS1PRSS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426642-A1 ACYCLIC ANTIVIRALS Alios Biopharma, Inc. (US) 2019-01-16 EP disclosed
WO-2017156262-A1 ACYCLIC ANTIVIRALS ALIOS BIOPHARMA, INC. (US) 2017-09-14 WO disclosed
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 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-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE ALDH1A1 4147/4885GAA 1345/4885STAT3 1029/4885

“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.