Sugi Predict

Sugi Predict / Compounds / SCHEMBL3938645

SCHEMBL3938645

SCHEMBL3938645

CC[Si](CC)(CC)Oc1cc(C)ccc1S(=O)(=O)c1ccc(C)cc1O[Si](CC)(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ ACHE P22303 1/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MCOLN3 Q8TDD5 2/20 0.37
▸ MEP1B Q16820 1/20 0.37
▸ TSHR P16473 5/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ ALPL P05186 2/20 0.36
▸ RECQL P46063 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4098349 0.82 KDM4E (0.40) POLBKMT2ASMN1; SMN2TSHRMAPK1
SCHEMBL3939214 0.82 TRPV4 (0.46) SMN1; SMN2TSHRALPLL3MBTL1NPSR1
SCHEMBL3938424 0.81 L3MBTL1 (0.43) CA1CA2CA9SMN1; SMN2MAPK1
SCHEMBL3938488 0.80 ALPL (0.38) POLBMEN1KMT2AHSD17B10MAPK1
SCHEMBL4024748 0.78 CREBBP (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL3939927 0.78 CYP19A1 (0.44) MAPK1ALPL
SCHEMBL3939973 0.77 HTR6 (0.44) CA1CA2CA9POLBMEN1
SCHEMBL17859703 0.70 ACHE (0.39) POLBACHEKMT2ARECQL
SCHEMBL8665502 0.70 ALDH1A1 (0.46) POLBKMT2ASMN1; SMN2MEP1BMAPK1
SCHEMBL4138945 0.69 RAPGEF4 (0.42) POLBKMT2ASMN1; SMN2MEP1BTSHR

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-1419143-B1 24-SULFUR-SUBSTITUTED ANALOGS OF 1ALPHA,25-DIHYDROXY VITAMIN D3 UNIV JOHNS HOPKINS (US) 2009-04-15 — — EP disclosed
US-7166585-B2 24-Sulfur-substituted analogs of 1α,25-dihydroxy vitamin D3 CYTOCHROMA INC. (CA) 2007-01-23 — — US disclosed
US-20040132695-A1 24-Sulfur-substituted analogs of 1 alpha, 25-dihydroxy vitamin D3 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-08 — — US disclosed
EP-1419143-A1 24-SULFUR-SUBSTITUTED ANALOGS OF 1ALPHA,25-DIHYDROXY VITAMIN D3 JOHNS HOPKINS UNIVERSITY (US) 2004-05-19 — — EP disclosed
US-20030149005-A1 24-sulfur-substituted analogs of 1alpha, 25-dihydroxy vitamin D3 Opko IP Holdings II, Inc. (KY) 2003-08-07 — — US disclosed
WO-2003018545-A1 24-SULFUR-SUBSTITUTED ANALOGS OF 1Α,25-DIHYDROXY VITAMIN D¿3? JOHNS HOPKINS UNIVERSITY (US) 2003-03-06 — — 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-20030149005-A1 24-sulfur-substituted analogs of 1alpha, 25-dihydroxy vitamin D3 CYP24A1, CYP2R1, CYP27B1 CA1 2899/4885CA2 2049/4885CA9 2549/4885
US-20040132695-A1 24-Sulfur-substituted analogs of 1 alpha, 25-dihydroxy vitamin D3 CYP24A1, CYP2R1, CYP27B1 CA1 2379/4885CA2 1842/4885CA9 2239/4885

“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.