SCHEMBL1764913

SCHEMBL1764913

Cc1ccc(S(=O)(=O)OC[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CA2 P00918 5/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
STAT3 P40763 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
ATM Q13315 1/20 0.38
P2RX7 Q99572 2/20 0.38
MMP13 P45452 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPRB P23467 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL1764915 1.00 ALDH1A1 (0.42) ALDH1A1TSHRCA2CA1CA9
SCHEMBL8193095 0.89 ALDH1A1 (0.43) ALDH1A1TSHRCA2CA1CA9
SCHEMBL29255200 0.87 ALDH1A1 (0.42) ALDH1A1TSHRCA2CA1CA9
SCHEMBL29255314 0.87 ALDH1A1 (0.44) ALDH1A1TSHRCA2CA1CA9
SCHEMBL15627953 0.87 AAK1 (0.52) ALDH1A1TSHRCA2CA1CA9
SCHEMBL10506905 0.87 SYK (0.45) ALDH1A1TSHRCA2CA1CA9
SCHEMBL30096762 0.86 ALDH1A1 (0.41) ALDH1A1TSHRCA2CA1CA9
SCHEMBL30096737 0.86 ALDH1A1 (0.41) ALDH1A1TSHRCA2CA1CA9
SCHEMBL16761785 0.85 CTSS (0.41) ALDH1A1TSHRCA2CA1CA9
SCHEMBL16761784 0.85 CTSS (0.41) ALDH1A1TSHRCA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
WO-2011064141-A1 SULTAM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-03 WO disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 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-20110124686-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, SULT1E1 ALDH1A1 17/4885TSHR 3116/4885CA2 1586/4885

“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.