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Sugi Predict / Compounds / SCHEMBL4098349

SCHEMBL4098349

SCHEMBL4098349

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ ALPL P05186 2/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL3938645 0.82 CA1 (0.39) SMN1; SMN2KMT2ATSHRMAPK1ALPL
SCHEMBL3938488 0.81 ALPL (0.38) KDM4EUSP2KMT2AMAPK1NAMPT
SCHEMBL3939214 0.81 TRPV4 (0.46) SMN1; SMN2HTTTSHRNAMPTALPL
SCHEMBL3939973 0.80 HTR6 (0.44) KMT2AHTTPOLBALDH1A1
SCHEMBL3938424 0.79 L3MBTL1 (0.43) SMN1; SMN2MAPK1ALPLALDH1A1MAPT
SCHEMBL4024748 0.77 CREBBP (0.40) SMN1; SMN2KMT2APKMHTTALDH1A1
SCHEMBL3939927 0.77 CYP19A1 (0.44) HTTMAPK1ALPLALDH1A1CYP3A4
SCHEMBL4118278 0.70 KDM4E (0.44) KDM4ESMN1; SMN2USP2KMT2APKM
SCHEMBL29022034 0.68 PTGS1 (0.47) KDM4ESMN1; SMN2USP2KMT2APKM
SCHEMBL29022039 0.68 PTGS1 (0.47) KDM4ESMN1; SMN2USP2KMT2APKM

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 KDM4E 1025/4885SMN1; SMN2 2590/4885USP2 1900/4885
US-20040132695-A1 24-Sulfur-substituted analogs of 1 alpha, 25-dihydroxy vitamin D3 CYP24A1, CYP2R1, CYP27B1 KDM4E 1128/4885SMN1; SMN2 2475/4885USP2 1686/4885

“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.