SCHEMBL3824723

SCHEMBL3824723

Fc1ccc(-c2cnc(S)n2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.51
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
PIK3CA P42336 1/20 0.43
LMNA P02545 1/20 0.40
TP53 P04637 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FLT3 P36888 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
SCHEMBL3830999 0.85 PTGS2 (0.52) PTGS2MEN1KMT2APIK3CALMNA
SCHEMBL19953198 0.84 PTGS2 (0.68) PTGS2MEN1KMT2AATMPIK3CA
SCHEMBL1075370 0.82 PTGS2 (0.67) PTGS2MEN1KMT2AATMPIK3CA
SCHEMBL8800251 0.79 PTGS2 (0.74) PTGS2
Hydrochloric Acid SCHEMBL15953386 0.70 CYP1A2 (0.41) MEN1KMT2ALMNAUSP2MAPK1
SCHEMBL6510547 0.70 PTGS2 (0.39) PTGS2PIK3CAMAPK1TSHRSMN1; SMN2
SCHEMBL2107151 0.70 USP2 (0.64) MEN1KMT2ALMNATP53USP2
SCHEMBL6294278 0.70 PTGS2 (0.64) PTGS2
SCHEMBL19953122 0.69 HSP90AA1 (0.46) MEN1KMT2AATMLMNATP53
SCHEMBL19953204 0.68 PTGS2 (0.49) PTGS2LMNAHSD17B10

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722784-A4 ION CHANNEL MODULATORS WYETH CORP (US) 2009-08-12 EP disclosed
EP-1722783-A4 ION CHANNEL MODULATORS WYETH CORP (US) 2009-08-12 EP disclosed
US-7547717-B2 Ion channel modulators WYETH (US) 2009-06-16 US disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
CN-1946397-A Ion channel modulators SCION PHARMACEUTICALS INC (US) 2007-04-11 CN disclosed
CN-1938020-A Ion channel modulators SCION PHARMACEUTICALS INC (US) 2007-03-28 CN disclosed
CN-1930132-A Ion channel modulators WYETH CORP (US) 2007-03-14 CN disclosed
EP-1722784-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
EP-1722783-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
EP-1723117-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005086895-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005086892-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005086836-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
US-20050203159-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2005-09-15 US 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 (3 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 PTGS2 1158/4885MEN1 3147/4885KMT2A 3236/4885
US-20050203159-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 PTGS2 1158/4885MEN1 3147/4885KMT2A 3236/4885
US-20080090891-A1 ION CHANNEL MODULATORS CACNA1B, CACNA1C, TRPV1 PTGS2 1158/4885MEN1 3147/4885KMT2A 3236/4885

“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.