Sugi Predict

Sugi Predict / Compounds / SCHEMBL3938488

SCHEMBL3938488

SCHEMBL3938488

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ DDR1 Q08345 1/20 0.34

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 0.81 KDM4E (0.40) ALPLALDH1A1CYP2C19NAMPTKDM4E
SCHEMBL3938645 0.80 CA1 (0.39) ALPLHSD17B10POLBMEN1MAPK1
SCHEMBL3939214 0.78 TRPV4 (0.46) ALPLNAMPT
SCHEMBL3938424 0.77 L3MBTL1 (0.43) ALPLALDH1A1MAPK1
SCHEMBL4024748 0.75 CREBBP (0.40) ALDH1A1MEN1KMT2A
SCHEMBL3939973 0.74 HTR6 (0.44) ALDH1A1POLBMEN1KMT2A
SCHEMBL15673339 0.73 L3MBTL1 (0.56) ALDH1A1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL3941612 0.71 MCL1 (0.50) ALDH1A1CYP2C19NAMPTCYP1A2MEN1
SCHEMBL8764653 0.70 TRPV4 (0.57) ALDH1A1HSD17B10CYP2C19HPGDCYP1A2
SCHEMBL25318109 0.67 KMT2A (0.43) ALPLALDH1A1HSD17B10CYP2C19NAMPT

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 ALPL 1602/4885ALDH1A1 333/4885HSD17B10 181/4885
US-20040132695-A1 24-Sulfur-substituted analogs of 1 alpha, 25-dihydroxy vitamin D3 CYP24A1, CYP2R1, CYP27B1 ALPL 1360/4885ALDH1A1 277/4885HSD17B10 167/4885

“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.