SCHEMBL5801869

SCHEMBL5801869

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.69
MAPT P10636 3/20 0.59
HPGD P15428 2/20 0.59
RAB9A P51151 2/20 0.59
KMT2A Q03164 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOB P27338 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL28129880 0.98 STS (0.67) STSMAPTHPGDRAB9AKMT2A
SCHEMBL10756881 0.85 STS (0.71) STSMAPTHPGDRAB9AKMT2A
SCHEMBL1665316 0.83 CA1 (0.57) STSRAB9AKMT2ACA12CA1
SCHEMBL2032982 0.83 STS (0.69) STSMAPTHPGDRAB9AKMT2A
SCHEMBL7987719 0.83 PPARA (0.59) STSMAPTKMT2AMEN1L3MBTL1
SCHEMBL575589 0.82 CA2 (0.52) HPGDCA12CA1CA2CA9
SCHEMBL29212218 0.82 STS (0.67) STSMAPTHPGDRAB9AKMT2A
SCHEMBL1665675 0.82 STS (0.47) STSRAB9AKMT2ACA12CA1
SCHEMBL16991029 0.82 STS (0.67) STSMAPTHPGDRAB9AKMT2A
SCHEMBL980002 0.80 STS (0.71) STSMAPTHPGDRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993014065-A1 PROCESS FOR PREPARING 1,3,5- TRIS(4'-HYDROXYPHENYL)BENZENE AND ITS DERIVATIVES HOECHST CELANESE CORPORATION (US) 1993-07-22 WO claimed
CN-110117237-A A kind of preparation method of aromatic nitriles or alkenyl nitrile compounds 中国科学院上海有机化学研究所 2019-08-13 CN disclosed
WO-2015016729-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
WO-2015016729-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 US disclosed
WO-2006057503-A1 NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2006-06-01 WO disclosed
WO-1993014140-A1 EPOXIDATION PRODUCTS OF 1,3,5-TRIS(4'-HYDROXYPHENYL)BENZENES____ HOECHST CELANESE CORPORATION (US) 1993-07-22 WO disclosed
WO-1993014065-A1 PROCESS FOR PREPARING 1,3,5- TRIS(4'-HYDROXYPHENYL)BENZENE AND ITS DERIVATIVES HOECHST CELANESE CORPORATION (US) 1993-07-22 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-20090326243-A1 Ligands for transition-metals and methods of use PDK4, PDXK, PDK3 STS 1971/4885MAPT 667/4885HPGD 1047/4885

“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.