SCHEMBL8235686

SCHEMBL8235686

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.47
CA1 P00915 4/20 0.47
CA9 Q16790 4/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
STAT3 P40763 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CA12 O43570 3/20 0.40
MMP13 P45452 2/20 0.39
P2RX7 Q99572 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL2545096 1.00 CA2 (0.47) CA2CA1CA9CA4CA7
SCHEMBL2545093 1.00 CA2 (0.47) CA2CA1CA9CA4CA7
SCHEMBL10569435 0.88 CA2 (0.54) CA2CA1CA9CA4CA7
SCHEMBL4342914 0.88 CA2 (0.46) CA2CA1CA9CA4CA7
SCHEMBL25320652 0.85 ALDH1A1 (0.46) CA2CA1CA9CA4CA7
SCHEMBL15627953 0.85 AAK1 (0.52) CA2CA1CA9CA4CA7
SCHEMBL25320649 0.85 ALDH1A1 (0.46) CA2CA1CA9CA4CA7
SCHEMBL3113962 0.85 ALDH1A1 (0.55) CA2CA1CA9CA4CA7
SCHEMBL8193095 0.85 ALDH1A1 (0.43) CA2CA1CA9CA4CA7
SCHEMBL26118690 0.85 ALDH1A1 (0.55) CA2CA1CA9CA4CA7

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
WO-2022262671-A1 MACRO HETEROCYCLIC COMPOUND AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2022-12-22 WO disclosed
US-20210087206-A1 MACROCYCLIC KINASE INHIBITORS AND THEIR USE TURNING POINT THERAPEUTICS INC (US) 2021-03-25 US disclosed
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 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 (2 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-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 PLA2G4A, PLA2G7, PLA2G6 CA2 3372/4885CA1 3522/4885CA9 4371/4885
US-20210087206-A1 MACROCYCLIC KINASE INHIBITORS AND THEIR USE MAP3K20, LCK, MAP3K1 CA2 1550/4885CA1 2123/4885CA9 2515/4885

“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.