SCHEMBL6595891

SCHEMBL6595891

CCOc1ccc(C(CC)C(=O)O)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
HTT P42858 1/20 0.61
TSHR P16473 5/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
USP2 O75604 2/20 0.50
DNMT1 P26358 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PAX8 Q06710 1/20 0.50
LMNA P02545 4/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL6598078 0.92 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HTTTSHRKMT2A
SCHEMBL6595896 0.75 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTTSHRKMT2A
SCHEMBL6612965 0.75 AKR1C3 (0.55) ALDH1A1SMN1; SMN2TSHRUSP2L3MBTL1
SCHEMBL15119353 0.71 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2TSHRKMT2AUSP2
SCHEMBL7664126 0.70 KMT2A (0.57) ALDH1A1SMN1; SMN2HTTTSHRKMT2A
SCHEMBL3997775 0.68 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTTSHRKMT2A
SCHEMBL3963711 0.68 POLB (0.71) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL3996272 0.67 TSHR (0.59) ALDH1A1SMN1; SMN2HTTTSHRKMT2A
SCHEMBL6284817 0.67 ALDH1A1 (0.47) ALDH1A1TSHRKMT2APOLBGAA
SCHEMBL7663008 0.67 KMT2A (0.54) ALDH1A1SMN1; SMN2HTTTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280802-B1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2004-05-06 EP disclosed
US-6620831-B2 Cyclin dependent kinase inhibitors; anticarcinogenic and antiinflammatory agents; restenosis, angiogenesis LG LIFE SCIENCES LTD. (KR) 2003-09-16 US disclosed
US-20030149034-A1 INDAZOLES SUBSTITUTED WITH1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2003-08-07 US disclosed
EP-1280802-A4 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2003-06-11 EP disclosed
EP-1280802-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG Life Sciences Ltd. (KR) 2003-02-05 EP disclosed
WO-2001085726-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2001-11-15 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-20030149034-A1 INDAZOLES SUBSTITUTED WITH1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION CCNA1, CCNI, CCNT1 ALDH1A1 543/4885SMN1; SMN2 4291/4885HTT 4486/4885

“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.