SCHEMBL3941612

SCHEMBL3941612

Cc1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccc(C(F)(F)F)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.50
HSD11B1 P28845 1/20 0.42
PDE2A O00408 1/20 0.42
NAMPT P43490 2/20 0.42
KIF11 P52732 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNJ6 P48051 1/20 0.39
KCNJ3 P48549 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL168415 0.86 L3MBTL1 (0.55) MCL1PDE2AKIF11ALDH1A1LMNA
SCHEMBL27858879 0.86 ABCC9 (0.54) MCL1HSD11B1NAMPTALDH1A1LMNA
SCHEMBL25362679 0.84 MCL1 (0.51) MCL1PDE2AKIF11ALDH1A1LMNA
SCHEMBL29458370 0.84 PDIA6 (0.49) MCL1KIF11LMNAL3MBTL1
SCHEMBL6191403 0.84 PDIA6 (0.49) MCL1KIF11LMNAL3MBTL1
SCHEMBL17998019 0.83 CA1 (0.44) HSD11B1ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL10406027 0.81 L3MBTL1 (0.39) MCL1HSD11B1ALDH1A1LMNAL3MBTL1
SCHEMBL5434375 0.81 MCL1 (0.50) MCL1HSD11B1ALDH1A1LMNAMAPT
SCHEMBL16234473 0.80 MCL1 (0.55) MCL1ALDH1A1LMNASMN1; SMN2MCOLN3
SCHEMBL16021159 0.76 MCL1 (0.47) MCL1ALDH1A1MEN1KMT2AKCNJ6

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 MCL1 1625/4885HSD11B1 33/4885PDE2A 4718/4885
US-20040132695-A1 24-Sulfur-substituted analogs of 1 alpha, 25-dihydroxy vitamin D3 CYP24A1, CYP2R1, CYP27B1 MCL1 1529/4885HSD11B1 23/4885PDE2A 4758/4885

“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.