SCHEMBL3938424

SCHEMBL3938424

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 1/20 0.40
ALPL P05186 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
CNR1 P21554 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3939214 0.79 TRPV4 (0.46) L3MBTL1SMN1; SMN2ALPLGAA
SCHEMBL4098349 0.79 KDM4E (0.40) SMN1; SMN2MAPK1MAPTALPLALDH1A1
SCHEMBL3938488 0.77 ALPL (0.38) MAPK1ALPLALDH1A1
SCHEMBL3939927 0.76 CYP19A1 (0.44) MAPK1ALPLALDH1A1
SCHEMBL3939973 0.75 HTR6 (0.44) CA12CA1CA2CA7CA9
SCHEMBL13371219 0.71 CA12 (0.50) L3MBTL1CA12CA1CA2CA7
SCHEMBL29022091 0.71 CYP1A1 (0.68) MAPK1MAPTALDH1A1
SCHEMBL29021978 0.71 CYP1A1 (0.68) MAPK1MAPTALDH1A1
SCHEMBL30442438 0.70 CYP1A1 (0.51) MAPK1MAPTALDH1A1
SCHEMBL29022038 0.69 CYP1A1 (0.54) MAPK1MAPTALDH1A1

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 L3MBTL1 2442/4885CA12 2873/4885CA1 2899/4885
US-20040132695-A1 24-Sulfur-substituted analogs of 1 alpha, 25-dihydroxy vitamin D3 CYP24A1, CYP2R1, CYP27B1 L3MBTL1 2376/4885CA12 2669/4885CA1 2379/4885

“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.